N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C20H24N2O4S — CID 33080763

IUPACN-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)CCNC(=O)c2cccs2)C2CC2)c1
InChIInChI=1S/C20H24N2O4S/c1-25-16-7-8-17(26-2)14(12-16)13-22(15-5-6-15)19(23)9-10-21-20(24)18-4-3-11-27-18/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyBBAQKEDCDIXXHT-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.08
Rot. Bonds9

About N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 33080763) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID33080763
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)CCNC(=O)c2cccs2)C2CC2)c1
InChIInChI=1S/C20H24N2O4S/c1-25-16-7-8-17(26-2)14(12-16)13-22(15-5-6-15)19(23)9-10-21-20(24)18-4-3-11-27-18/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyBBAQKEDCDIXXHT-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55830000
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 24515681
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18169203
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 33079090
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-[4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 39757384
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 32761132
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 134060864
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 33080763) is N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide is COc1ccc(OC)c(CN(C(=O)CCNC(=O)c2cccs2)C2CC2)c1.
What is the InChIKey of N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is BBAQKEDCDIXXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-25-16-7-8-17(26-2)14(12-16)13-22(15-5-6-15)19(23)9-10-21-20(24)18-4-3-11-27-18/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 33080763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).