N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C20H21N3O2S — CID 97111991

IUPACN-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc([C@@H]2CCCO2)s1
InChIInChI=1S/C20H21N3O2S/c1-22(13-15-12-21-23(14-15)16-6-3-2-4-7-16)20(24)19-10-9-18(26-19)17-8-5-11-25-17/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3/t17-/m0/s1
InChIKeyDMPDLEAARFQPJO-KRWDZBQOSA-N
MW367.47 g/mol
LogP4.06
Rot. Bonds5

About N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide

N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 97111991) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID97111991
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc([C@@H]2CCCO2)s1
InChIInChI=1S/C20H21N3O2S/c1-22(13-15-12-21-23(14-15)16-6-3-2-4-7-16)20(24)19-10-9-18(26-19)17-8-5-11-25-17/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3/t17-/m0/s1
InChIKeyDMPDLEAARFQPJO-KRWDZBQOSA-N
XLogP4.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
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CID 72890369
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50966435
N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 78846347
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 17398201
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71935397
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112813676

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 97111991) is N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc([C@@H]2CCCO2)s1.
What is the InChIKey of N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is DMPDLEAARFQPJO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-22(13-15-12-21-23(14-15)16-6-3-2-4-7-16)20(24)19-10-9-18(26-19)17-8-5-11-25-17/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3/t17-/m0/s1.
What are the key properties of N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97111991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).