5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide

C19H22N2O4S — CID 42889154

IUPAC5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(NC(=O)C3CC3)s2)c1
InChIInChI=1S/C19H22N2O4S/c1-11(14-10-13(24-2)6-7-15(14)25-3)20-19(23)16-8-9-17(26-16)21-18(22)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyPNPLOXBVYXNGQC-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.60
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 42889154) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID42889154
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(NC(=O)C3CC3)s2)c1
InChIInChI=1S/C19H22N2O4S/c1-11(14-10-13(24-2)6-7-15(14)25-3)20-19(23)16-8-9-17(26-16)21-18(22)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyPNPLOXBVYXNGQC-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
5-cyclopropyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171137
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 25490674
N-[(3-bromo-4-methoxyphenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86878356
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51221677
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 42889154) is 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2ccc(NC(=O)C3CC3)s2)c1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is PNPLOXBVYXNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-11(14-10-13(24-2)6-7-15(14)25-3)20-19(23)16-8-9-17(26-16)21-18(22)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42889154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).