N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide

C13H20ClN3O3S — CID 63859682

IUPACN-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide
SMILESCC(C)(CNCC(=O)Nc1ccccc1Cl)NS(C)(=O)=O
InChIInChI=1S/C13H20ClN3O3S/c1-13(2,17-21(3,19)20)9-15-8-12(18)16-11-7-5-4-6-10(11)14/h4-7,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyCXTPGUQCPNRCTA-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.20
Rot. Bonds7

About N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide

N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide (PubChem CID 63859682) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide
PubChem CID63859682
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide
SMILESCC(C)(CNCC(=O)Nc1ccccc1Cl)NS(C)(=O)=O
InChIInChI=1S/C13H20ClN3O3S/c1-13(2,17-21(3,19)20)9-15-8-12(18)16-11-7-5-4-6-10(11)14/h4-7,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyCXTPGUQCPNRCTA-UHFFFAOYSA-N
XLogP1.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80526835
N-(2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106291849
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79562333
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-(2-chlorophenyl)-2-[(4-hydroxy-2-methylbutyl)amino]acetamide
CID 66089065
N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
CID 62640663
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)acetamide
CID 26417607
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide (CID 63859682) is N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide is CC(C)(CNCC(=O)Nc1ccccc1Cl)NS(C)(=O)=O.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide?
The InChIKey is CXTPGUQCPNRCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-13(2,17-21(3,19)20)9-15-8-12(18)16-11-7-5-4-6-10(11)14/h4-7,15,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide?
N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide has a molecular weight of 333.84 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 63859682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).