N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide

C15H16FN3O4S2 — CID 46523672

IUPACN-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FN3O4S2/c1-25(22,23)17-9-8-12-6-7-13(24-12)15(21)19-18-14(20)10-2-4-11(16)5-3-10/h2-7,17H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyBMLMCROYWDXWMA-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.05
Rot. Bonds6

About N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 46523672) has the molecular formula C15H16FN3O4S2 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID46523672
Molecular FormulaC15H16FN3O4S2
Molecular Weight385.44 g/mol
Exact Mass385.06
IUPAC NameN-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FN3O4S2/c1-25(22,23)17-9-8-12-6-7-13(24-12)15(21)19-18-14(20)10-2-4-11(16)5-3-10/h2-7,17H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyBMLMCROYWDXWMA-UHFFFAOYSA-N
XLogP1.05
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 43034279
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
N-[2-[5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24532124
N-[2-[5-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24533063
N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17409937
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 120883960
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 27315933
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 30525669
N-[6-(dimethylamino)-3-pyridinyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17489969

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide (CID 46523672) is N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is BMLMCROYWDXWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S2/c1-25(22,23)17-9-8-12-6-7-13(24-12)15(21)19-18-14(20)10-2-4-11(16)5-3-10/h2-7,17H,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 385.44 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 46523672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).