N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide

C15H17N3O3S — CID 92944479

IUPACN-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)CCN)ccc1NC(=O)c1cccs1
InChIInChI=1S/C15H17N3O3S/c1-21-12-9-10(17-14(19)6-7-16)4-5-11(12)18-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyOELKFPDJNJFDHA-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.30
Rot. Bonds6

About N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 92944479) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID92944479
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)CCN)ccc1NC(=O)c1cccs1
InChIInChI=1S/C15H17N3O3S/c1-21-12-9-10(17-14(19)6-7-16)4-5-11(12)18-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyOELKFPDJNJFDHA-UHFFFAOYSA-N
XLogP2.30
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
CID 82034454
N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 17117567
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 39184898
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 22780919
N-[2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 3161498
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide (CID 92944479) is N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)CCN)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is OELKFPDJNJFDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-21-12-9-10(17-14(19)6-7-16)4-5-11(12)18-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 92944479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).