N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide

C18H19N3O4S — CID 55610306

IUPACN-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C18H19N3O4S/c22-16(7-2-8-19-17(23)15-6-3-11-26-15)20-13-4-1-5-14(12-13)21-9-10-25-18(21)24/h1,3-6,11-12H,2,7-10H2,(H,19,23)(H,20,22)
InChIKeyKAUDXWYSTQFOLS-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.85
Rot. Bonds7

About N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide

N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide (PubChem CID 55610306) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide
PubChem CID55610306
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C18H19N3O4S/c22-16(7-2-8-19-17(23)15-6-3-11-26-15)20-13-4-1-5-14(12-13)21-9-10-25-18(21)24/h1,3-6,11-12H,2,7-10H2,(H,19,23)(H,20,22)
InChIKeyKAUDXWYSTQFOLS-UHFFFAOYSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide
CID 55719816
N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 86978815
4-(1H-indol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 46412931
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[4-oxo-4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)butyl]thiophene-2-carboxamide
CID 42280483
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706
2-(4-fluorophenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 39140496

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide (CID 55610306) is N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide is O=C(CCCNC(=O)c1cccs1)Nc1cccc(N2CCOC2=O)c1.
What is the InChIKey of N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide?
The InChIKey is KAUDXWYSTQFOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-16(7-2-8-19-17(23)15-6-3-11-26-15)20-13-4-1-5-14(12-13)21-9-10-25-18(21)24/h1,3-6,11-12H,2,7-10H2,(H,19,23)(H,20,22).
What are the key properties of N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide?
N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 55610306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).