N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide

C24H31NO4S — CID 45204859

IUPACN-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2cccs2)C2CCCC2)ccc1OCC1CCCCO1
InChIInChI=1S/C24H31NO4S/c1-27-22-15-18(11-12-21(22)29-17-20-9-4-5-13-28-20)16-25(19-7-2-3-8-19)24(26)23-10-6-14-30-23/h6,10-12,14-15,19-20H,2-5,7-9,13,16-17H2,1H3
InChIKeyVQDOSBNRGFLJEK-UHFFFAOYSA-N
MW429.58 g/mol
LogP5.29
Rot. Bonds8

About N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide

N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 45204859) has the molecular formula C24H31NO4S and a molecular weight of 429.58 g/mol. Its IUPAC name is N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID45204859
Molecular FormulaC24H31NO4S
Molecular Weight429.58 g/mol
Exact Mass429.20
IUPAC NameN-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2cccs2)C2CCCC2)ccc1OCC1CCCCO1
InChIInChI=1S/C24H31NO4S/c1-27-22-15-18(11-12-21(22)29-17-20-9-4-5-13-28-20)16-25(19-7-2-3-8-19)24(26)23-10-6-14-30-23/h6,10-12,14-15,19-20H,2-5,7-9,13,16-17H2,1H3
InChIKeyVQDOSBNRGFLJEK-UHFFFAOYSA-N
XLogP5.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.58
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 26320462
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55962464
N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide
CID 45172070
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide
CID 42540428
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 26326345
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 45204859) is N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide is COc1cc(CN(C(=O)c2cccs2)C2CCCC2)ccc1OCC1CCCCO1.
What is the InChIKey of N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is VQDOSBNRGFLJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4S/c1-27-22-15-18(11-12-21(22)29-17-20-9-4-5-13-28-20)16-25(19-7-2-3-8-19)24(26)23-10-6-14-30-23/h6,10-12,14-15,19-20H,2-5,7-9,13,16-17H2,1H3.
What are the key properties of N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 429.58 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 45204859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).