N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

C30H34N2O3S — CID 93167422

IUPACN-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
SMILESCC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C30H34N2O3S/c1-21(2)23-10-12-25(13-11-23)35-20-27-26-15-17-36-28(26)14-16-32(27)29(33)19-31(18-22-8-9-22)30(34)24-6-4-3-5-7-24/h3-7,10-13,15,17,21-22,27H,8-9,14,16,18-20H2,1-2H3/t27-/m0/s1
InChIKeyKWHXOIQROURTSG-MHZLTWQESA-N
MW502.68 g/mol
LogP5.93
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (PubChem CID 93167422) has the molecular formula C30H34N2O3S and a molecular weight of 502.68 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
PubChem CID93167422
Molecular FormulaC30H34N2O3S
Molecular Weight502.68 g/mol
Exact Mass502.23
IUPAC NameN-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
SMILESCC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C30H34N2O3S/c1-21(2)23-10-12-25(13-11-23)35-20-27-26-15-17-36-28(26)14-16-32(27)29(33)19-31(18-22-8-9-22)30(34)24-6-4-3-5-7-24/h3-7,10-13,15,17,21-22,27H,8-9,14,16,18-20H2,1-2H3/t27-/m0/s1
InChIKeyKWHXOIQROURTSG-MHZLTWQESA-N
XLogP5.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide with MolForge

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Related Compounds

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)benzamide
CID 93166461
N-(cyclopropylmethyl)-2-fluoro-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 93167426
N-(cyclopropylmethyl)-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 93167409
N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 46010463
N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 46010657
N-(cyclopropylmethyl)-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 46010848
3-chloro-N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)benzamide
CID 98423120
3-chloro-N-(2-methylpropyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 46010454
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 98423961
N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide
CID 93166449
3-chloro-N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93170946
2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 98423944

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (CID 93167422) is N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?
The InChIKey is KWHXOIQROURTSG-MHZLTWQESA-N. The full InChI is InChI=1S/C30H34N2O3S/c1-21(2)23-10-12-25(13-11-23)35-20-27-26-15-17-36-28(26)14-16-32(27)29(33)19-31(18-22-8-9-22)30(34)24-6-4-3-5-7-24/h3-7,10-13,15,17,21-22,27H,8-9,14,16,18-20H2,1-2H3/t27-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?
N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide has a molecular weight of 502.68 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is sourced from PubChem (CID 93167422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).