N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide

C14H22N2O4S — CID 124875226

IUPACN-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide
SMILESCO[C@@H](C)CS(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(2)14(17)15-12-5-7-13(8-6-12)16-21(18,19)9-11(3)20-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyKCFPTIQMFCXYEE-NSHDSACASA-N
MW314.41 g/mol
LogP2.06
Rot. Bonds7

About N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide

N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide (PubChem CID 124875226) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide
PubChem CID124875226
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide
SMILESCO[C@@H](C)CS(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(2)14(17)15-12-5-7-13(8-6-12)16-21(18,19)9-11(3)20-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyKCFPTIQMFCXYEE-NSHDSACASA-N
XLogP2.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid
CID 136537758
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
4-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid
CID 136549173
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide
CID 126805923
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide (CID 124875226) is N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide is CO[C@@H](C)CS(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide?
The InChIKey is KCFPTIQMFCXYEE-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)14(17)15-12-5-7-13(8-6-12)16-21(18,19)9-11(3)20-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide?
N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-methoxypropyl]sulfonylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 124875226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).