N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C19H17N3O5S2 — CID 30156853

IUPACN-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(O)c1
InChIInChI=1S/C19H17N3O5S2/c1-12-8-9-14(16(23)11-12)19(25)21-20-18(24)13-5-2-3-6-15(13)22-29(26,27)17-7-4-10-28-17/h2-11,22-23H,1H3,(H,20,24)(H,21,25)
InChIKeyWSRROFQSPNDKQQ-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.64
Rot. Bonds5

About N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 30156853) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID30156853
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC NameN-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(O)c1
InChIInChI=1S/C19H17N3O5S2/c1-12-8-9-14(16(23)11-12)19(25)21-20-18(24)13-5-2-3-6-15(13)22-29(26,27)17-7-4-10-28-17/h2-11,22-23H,1H3,(H,20,24)(H,21,25)
InChIKeyWSRROFQSPNDKQQ-UHFFFAOYSA-N
XLogP2.64
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(3-methyl-1,2-oxazole-5-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 31800733
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424
N-[2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156981
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
N-[2-[(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698726
N-[2-[[[2-(methylamino)-5-nitrobenzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27023469
N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 39459100
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698677
N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 30156853) is N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is Cc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(O)c1.
What is the InChIKey of N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is WSRROFQSPNDKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S2/c1-12-8-9-14(16(23)11-12)19(25)21-20-18(24)13-5-2-3-6-15(13)22-29(26,27)17-7-4-10-28-17/h2-11,22-23H,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 431.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 30156853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).