N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide

C14H23N3O3S — CID 115571074

IUPACN-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(C)CNC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-10(2)8-17-14(18)9-16-11(3)12-4-6-13(7-5-12)21(15,19)20/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)(H2,15,19,20)
InChIKeyRNXCOGGGTRTTSV-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.76
Rot. Bonds7

About N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide

N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 115571074) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID115571074
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(C)CNC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-10(2)8-17-14(18)9-16-11(3)12-4-6-13(7-5-12)21(15,19)20/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)(H2,15,19,20)
InChIKeyRNXCOGGGTRTTSV-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
CID 112688467
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816628
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81382464
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide (CID 115571074) is N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide is CC(C)CNC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is RNXCOGGGTRTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)8-17-14(18)9-16-11(3)12-4-6-13(7-5-12)21(15,19)20/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 313.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 115571074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).