N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide

C20H26N4O4S — CID 42905378

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H26N4O4S/c1-14(2)18(23-20(21)26)19(25)22-16-9-11-17(12-10-16)29(27,28)24(3)13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H,22,25)(H3,21,23,26)
InChIKeyYHWLLSMVIXFAHS-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.14
Rot. Bonds8

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide (PubChem CID 42905378) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide
PubChem CID42905378
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H26N4O4S/c1-14(2)18(23-20(21)26)19(25)22-16-9-11-17(12-10-16)29(27,28)24(3)13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H,22,25)(H3,21,23,26)
InChIKeyYHWLLSMVIXFAHS-UHFFFAOYSA-N
XLogP2.14
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2238568
(2S,3S)-N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 9223897
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046233
2-[4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]acetic acid
CID 43358520
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 1259482
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide (CID 42905378) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide?
The InChIKey is YHWLLSMVIXFAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-14(2)18(23-20(21)26)19(25)22-16-9-11-17(12-10-16)29(27,28)24(3)13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H,22,25)(H3,21,23,26).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide has a molecular weight of 418.52 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide is sourced from PubChem (CID 42905378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).