2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide

C14H23N3O3S — CID 65225218

IUPAC2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)C(CN)C(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-16-21(19,20)12-7-5-11(6-8-12)17-14(18)13(9-15)10(2)3/h5-8,10,13,16H,4,9,15H2,1-3H3,(H,17,18)
InChIKeyWSQFAEJRSIAISE-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.15
Rot. Bonds7

About 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide

2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide (PubChem CID 65225218) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide
PubChem CID65225218
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)C(CN)C(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-16-21(19,20)12-7-5-11(6-8-12)17-14(18)13(9-15)10(2)3/h5-8,10,13,16H,4,9,15H2,1-3H3,(H,17,18)
InChIKeyWSQFAEJRSIAISE-UHFFFAOYSA-N
XLogP1.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
5-amino-N-[4-(ethylsulfamoyl)phenyl]-2-methylpentanamide
CID 104684086
2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 43711022
(2S)-2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 61172487
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
CID 61499285
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828103
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide (CID 65225218) is 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide is CCNS(=O)(=O)c1ccc(NC(=O)C(CN)C(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide?
The InChIKey is WSQFAEJRSIAISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-16-21(19,20)12-7-5-11(6-8-12)17-14(18)13(9-15)10(2)3/h5-8,10,13,16H,4,9,15H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide?
2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide has a molecular weight of 313.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 65225218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).