N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide

C15H17N3O3S — CID 17253277

IUPACN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)no1
InChIInChI=1S/C15H17N3O3S/c1-2-8-7-10(18-21-8)14(20)17-15-12(13(16)19)9-5-3-4-6-11(9)22-15/h7H,2-6H2,1H3,(H2,16,19)(H,17,20)
InChIKeyQLSYXWJSPATSDL-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.53
Rot. Bonds4

About N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 17253277) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID17253277
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)no1
InChIInChI=1S/C15H17N3O3S/c1-2-8-7-10(18-21-8)14(20)17-15-12(13(16)19)9-5-3-4-6-11(9)22-15/h7H,2-6H2,1H3,(H2,16,19)(H,17,20)
InChIKeyQLSYXWJSPATSDL-UHFFFAOYSA-N
XLogP2.53
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 4189734
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093886
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309527
ethyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5307410
2-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 5215688
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
2-N,5-N-bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2,5-dicarboxamide
CID 5228452
N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 17174182
2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 741163
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 19578993
ethyl 5-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 4184672
2-[(2,3,6-trichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19171118

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide (CID 17253277) is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)no1.
What is the InChIKey of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is QLSYXWJSPATSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-2-8-7-10(18-21-8)14(20)17-15-12(13(16)19)9-5-3-4-6-11(9)22-15/h7H,2-6H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).