N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

C18H19N3O4S — CID 16595029

IUPACN-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C18H19N3O4S/c1-10(22)19-12-5-6-14(25-2)13(9-12)20-18(24)15-7-8-16(26-15)21-17(23)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyLYAASDJIQFVSAG-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.32
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (PubChem CID 16595029) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
PubChem CID16595029
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C18H19N3O4S/c1-10(22)19-12-5-6-14(25-2)13(9-12)20-18(24)15-7-8-16(26-15)21-17(23)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyLYAASDJIQFVSAG-UHFFFAOYSA-N
XLogP3.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 175745588
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852098
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
N-[(3-bromo-4-methoxyphenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86878356
5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 42889154
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513267
5-(cyclopropanecarbonylamino)-N-(2,5-dichlorophenyl)thiophene-2-carboxamide
CID 17420515

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (CID 16595029) is N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The InChIKey is LYAASDJIQFVSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10(22)19-12-5-6-14(25-2)13(9-12)20-18(24)15-7-8-16(26-15)21-17(23)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 16595029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).