N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide

C14H22N2O3S — CID 51566560

IUPACN-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-6-14(17)15-12-7-9-13(10-8-12)20(18,19)16-11(3)5-2/h7-11,16H,4-6H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyZHQMDMPGPOTWBT-NSHDSACASA-N
MW298.41 g/mol
LogP2.50
Rot. Bonds7

About N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide

N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide (PubChem CID 51566560) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
PubChem CID51566560
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-6-14(17)15-12-7-9-13(10-8-12)20(18,19)16-11(3)5-2/h7-11,16H,4-6H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyZHQMDMPGPOTWBT-NSHDSACASA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-phenylpropanamide
CID 1304672
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 2947595
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-ethoxyacetamide
CID 4530095
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-piperidin-1-ylacetamide
CID 51686284
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 43877406
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-2-(cyclopentylamino)acetamide
CID 1460470

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide (CID 51566560) is N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1.
What is the InChIKey of N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide?
The InChIKey is ZHQMDMPGPOTWBT-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-6-14(17)15-12-7-9-13(10-8-12)20(18,19)16-11(3)5-2/h7-11,16H,4-6H2,1-3H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide?
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide has a molecular weight of 298.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 51566560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).