2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide

C14H23N3O3S — CID 60852490

IUPAC2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CNC(C)CC)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-11(3)15-10-14(18)17-12-6-8-13(9-7-12)21(19,20)16-5-2/h6-9,11,15-16H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyMGBBSAANAHAADT-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds8

About 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide

2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide (PubChem CID 60852490) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
PubChem CID60852490
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CNC(C)CC)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-11(3)15-10-14(18)17-12-6-8-13(9-7-12)21(19,20)16-5-2/h6-9,11,15-16H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyMGBBSAANAHAADT-UHFFFAOYSA-N
XLogP1.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
(2S)-2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 61172487
2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 43711022

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide (CID 60852490) is 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide is CCNS(=O)(=O)c1ccc(NC(=O)CNC(C)CC)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide?
The InChIKey is MGBBSAANAHAADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-11(3)15-10-14(18)17-12-6-8-13(9-7-12)21(19,20)16-5-2/h6-9,11,15-16H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide?
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide has a molecular weight of 313.42 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 60852490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).