N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide

C20H25BrN4O4S — CID 24636258

IUPACN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H25BrN4O4S/c1-4-12(2)18(24-20(22)27)19(26)23-16-8-5-13(3)17(11-16)30(28,29)25-15-9-6-14(21)7-10-15/h5-12,18,25H,4H2,1-3H3,(H,23,26)(H3,22,24,27)
InChIKeyGMTLHWYCTYMEIN-UHFFFAOYSA-N
MW497.42 g/mol
LogP3.58
Rot. Bonds8

About N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide

N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide (PubChem CID 24636258) has the molecular formula C20H25BrN4O4S and a molecular weight of 497.42 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
PubChem CID24636258
Molecular FormulaC20H25BrN4O4S
Molecular Weight497.42 g/mol
Exact Mass496.08
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H25BrN4O4S/c1-4-12(2)18(24-20(22)27)19(26)23-16-8-5-13(3)17(11-16)30(28,29)25-15-9-6-14(21)7-10-15/h5-12,18,25H,4H2,1-3H3,(H,23,26)(H3,22,24,27)
InChIKeyGMTLHWYCTYMEIN-UHFFFAOYSA-N
XLogP3.58
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 3383117
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
CID 17491857
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide
CID 41094177
(2S,3S)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide
CID 32554764
(2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide
CID 9474012
(2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide
CID 32554758
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide (CID 24636258) is N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide?
The InChIKey is GMTLHWYCTYMEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O4S/c1-4-12(2)18(24-20(22)27)19(26)23-16-8-5-13(3)17(11-16)30(28,29)25-15-9-6-14(21)7-10-15/h5-12,18,25H,4H2,1-3H3,(H,23,26)(H3,22,24,27).
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide?
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide has a molecular weight of 497.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide is sourced from PubChem (CID 24636258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).