N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide

C15H16ClFN2O3S2 — CID 51177409

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16ClFN2O3S2/c1-19(10-12-4-7-14(16)23-12)15(20)8-9-18-24(21,22)13-5-2-11(17)3-6-13/h2-7,18H,8-10H2,1H3
InChIKeyCRPKFFCUQNGYGR-UHFFFAOYSA-N
MW390.89 g/mol
LogP2.87
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 51177409) has the molecular formula C15H16ClFN2O3S2 and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID51177409
Molecular FormulaC15H16ClFN2O3S2
Molecular Weight390.89 g/mol
Exact Mass390.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16ClFN2O3S2/c1-19(10-12-4-7-14(16)23-12)15(20)8-9-18-24(21,22)13-5-2-11(17)3-6-13/h2-7,18H,8-10H2,1H3
InChIKeyCRPKFFCUQNGYGR-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 38562542
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 39756672
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 119657344
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide (CID 51177409) is N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide is CN(Cc1ccc(Cl)s1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is CRPKFFCUQNGYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3S2/c1-19(10-12-4-7-14(16)23-12)15(20)8-9-18-24(21,22)13-5-2-11(17)3-6-13/h2-7,18H,8-10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 390.89 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 51177409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).