(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide

C16H19ClN2O3S2 — CID 41248093

IUPAC(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
SMILESCC(C)[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3S2/c1-10(2)15(11-3-5-12(17)6-4-11)16(20)19-9-13-7-8-14(23-13)24(18,21)22/h3-8,10,15H,9H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1
InChIKeyCYMCZNNBPBWBQP-OAHLLOKOSA-N
MW386.93 g/mol
LogP3.10
Rot. Bonds6

About (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide

(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide (PubChem CID 41248093) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
PubChem CID41248093
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
SMILESCC(C)[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3S2/c1-10(2)15(11-3-5-12(17)6-4-11)16(20)19-9-13-7-8-14(23-13)24(18,21)22/h3-8,10,15H,9H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1
InChIKeyCYMCZNNBPBWBQP-OAHLLOKOSA-N
XLogP3.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide with MolForge

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Related Compounds

(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119270466
2-cyclopropyl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 79506363
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
CID 24612288
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]benzamide
CID 55938069
2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 4264169
5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 43242482
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 55791868
3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 166189748
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide (CID 41248093) is (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide is CC(C)[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide?
The InChIKey is CYMCZNNBPBWBQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-10(2)15(11-3-5-12(17)6-4-11)16(20)19-9-13-7-8-14(23-13)24(18,21)22/h3-8,10,15H,9H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide?
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide has a molecular weight of 386.93 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 41248093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).