methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate

C12H13N3O4S2 — CID 61299815

IUPACmethyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NS(=O)(=O)c2cc(N)cs2)c1
InChIInChI=1S/C12H13N3O4S2/c1-19-12(16)14-9-3-2-4-10(6-9)15-21(17,18)11-5-8(13)7-20-11/h2-7,15H,13H2,1H3,(H,14,16)
InChIKeyIXAPCPDGZKCBMH-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.31
Rot. Bonds4

About methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate

methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate (PubChem CID 61299815) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate
PubChem CID61299815
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Namemethyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NS(=O)(=O)c2cc(N)cs2)c1
InChIInChI=1S/C12H13N3O4S2/c1-19-12(16)14-9-3-2-4-10(6-9)15-21(17,18)11-5-8(13)7-20-11/h2-7,15H,13H2,1H3,(H,14,16)
InChIKeyIXAPCPDGZKCBMH-UHFFFAOYSA-N
XLogP2.31
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
CID 61300948
methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate
CID 61042286
4-amino-N-(3,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 61299375
4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide
CID 61300199
4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
4-amino-N-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide
CID 54955525
2-[(4-aminothiophen-2-yl)sulfonylamino]benzamide
CID 61301321
4-amino-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61299189

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate (CID 61299815) is methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate is COC(=O)Nc1cccc(NS(=O)(=O)c2cc(N)cs2)c1.
What is the InChIKey of methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate?
The InChIKey is IXAPCPDGZKCBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c1-19-12(16)14-9-3-2-4-10(6-9)15-21(17,18)11-5-8(13)7-20-11/h2-7,15H,13H2,1H3,(H,14,16).
What are the key properties of methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate?
methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate has a molecular weight of 327.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate is sourced from PubChem (CID 61299815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).