N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide

C15H13N3O4S — CID 134019751

IUPACN-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H13N3O4S/c19-13(5-6-16-14(20)12-2-1-7-23-12)17-9-3-4-11-10(8-9)18-15(21)22-11/h1-4,7-8H,5-6H2,(H,16,20)(H,17,19)(H,18,21)
InChIKeyVBTWNQVZWQPMOZ-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.94
Rot. Bonds5

About N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide (PubChem CID 134019751) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide
PubChem CID134019751
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H13N3O4S/c19-13(5-6-16-14(20)12-2-1-7-23-12)17-9-3-4-11-10(8-9)18-15(21)22-11/h1-4,7-8H,5-6H2,(H,16,20)(H,17,19)(H,18,21)
InChIKeyVBTWNQVZWQPMOZ-UHFFFAOYSA-N
XLogP1.94
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286345
(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 110410928
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide (CID 134019751) is N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide?
The InChIKey is VBTWNQVZWQPMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c19-13(5-6-16-14(20)12-2-1-7-23-12)17-9-3-4-11-10(8-9)18-15(21)22-11/h1-4,7-8H,5-6H2,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 134019751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).