N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C22H17FN4O4S2 — CID 39459100

IUPACN-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccc(F)cc2n1
InChIInChI=1S/C22H17FN4O4S2/c1-13-11-17(15-9-8-14(23)12-19(15)24-13)22(29)26-25-21(28)16-5-2-3-6-18(16)27-33(30,31)20-7-4-10-32-20/h2-12,27H,1H3,(H,25,28)(H,26,29)
InChIKeyUHGGTHDMSLUJNB-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.62
Rot. Bonds5

About N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 39459100) has the molecular formula C22H17FN4O4S2 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID39459100
Molecular FormulaC22H17FN4O4S2
Molecular Weight484.53 g/mol
Exact Mass484.07
IUPAC NameN-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccc(F)cc2n1
InChIInChI=1S/C22H17FN4O4S2/c1-13-11-17(15-9-8-14(23)12-19(15)24-13)22(29)26-25-21(28)16-5-2-3-6-18(16)27-33(30,31)20-7-4-10-32-20/h2-12,27H,1H3,(H,25,28)(H,26,29)
InChIKeyUHGGTHDMSLUJNB-UHFFFAOYSA-N
XLogP3.62
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.62
H-Bond Donors ≤ 53
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
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698677
N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2473604
N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 3451346
N-[2-[[(6-fluoro-1,1-dioxo-2H-thiochromen-4-yl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 2694137
N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715
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-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 25497195
7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 46686353

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 39459100) is N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is Cc1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccc(F)cc2n1.
What is the InChIKey of N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is UHGGTHDMSLUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O4S2/c1-13-11-17(15-9-8-14(23)12-19(15)24-13)22(29)26-25-21(28)16-5-2-3-6-18(16)27-33(30,31)20-7-4-10-32-20/h2-12,27H,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 484.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 39459100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).