6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide

C17H15N3O3S — CID 142717227

IUPAC6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)Nc2ccc3cc(C(N)=O)sc3c2)c1
InChIInChI=1S/C17H15N3O3S/c1-23-13-4-2-3-11(8-13)19-17(22)20-12-6-5-10-7-15(16(18)21)24-14(10)9-12/h2-9H,1H3,(H2,18,21)(H2,19,20,22)
InChIKeyVMOIWGPZPNYPPE-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.65
Rot. Bonds4

About 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide

6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide (PubChem CID 142717227) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide
PubChem CID142717227
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)Nc2ccc3cc(C(N)=O)sc3c2)c1
InChIInChI=1S/C17H15N3O3S/c1-23-13-4-2-3-11(8-13)19-17(22)20-12-6-5-10-7-15(16(18)21)24-14(10)9-12/h2-9H,1H3,(H2,18,21)(H2,19,20,22)
InChIKeyVMOIWGPZPNYPPE-UHFFFAOYSA-N
XLogP3.65
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide (CID 142717227) is 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide is COc1cccc(NC(=O)Nc2ccc3cc(C(N)=O)sc3c2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide?
The InChIKey is VMOIWGPZPNYPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-13-4-2-3-11(8-13)19-17(22)20-12-6-5-10-7-15(16(18)21)24-14(10)9-12/h2-9H,1H3,(H2,18,21)(H2,19,20,22).
What are the key properties of 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide?
6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142717227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).