N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C14H23N3O3S — CID 108993382

IUPACN-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCCC(C)NC(=O)CNCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-11(2)17-14(18)10-16-9-8-12-4-6-13(7-5-12)21(15,19)20/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyIATRQHDHQAICLZ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.38
Rot. Bonds8

About N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 108993382) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID108993382
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCCC(C)NC(=O)CNCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-11(2)17-14(18)10-16-9-8-12-4-6-13(7-5-12)21(15,19)20/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyIATRQHDHQAICLZ-UHFFFAOYSA-N
XLogP0.38
TPSA101.29 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 ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131648
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002567
N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109362549
2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid
CID 115353272
2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 60652957
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
CID 32648505
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
N-(2-chlorophenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002569

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 108993382) is N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is CCC(C)NC(=O)CNCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is IATRQHDHQAICLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-11(2)17-14(18)10-16-9-8-12-4-6-13(7-5-12)21(15,19)20/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 313.42 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 108993382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).