(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide

C16H26N4O4S — CID 2569295

IUPAC(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
SMILESCC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N4O4S/c1-5-11(4)14(19-16(17)22)15(21)18-12-6-8-13(9-7-12)25(23,24)20-10(2)3/h6-11,14,20H,5H2,1-4H3,(H,18,21)(H3,17,19,22)/t11-,14+/m1/s1
InChIKeyMQUIYLPUZMMUDG-RISCZKNCSA-N
MW370.48 g/mol
LogP1.39
Rot. Bonds8

About (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide

(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide (PubChem CID 2569295) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
PubChem CID2569295
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
SMILESCC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N4O4S/c1-5-11(4)14(19-16(17)22)15(21)18-12-6-8-13(9-7-12)25(23,24)20-10(2)3/h6-11,14,20H,5H2,1-4H3,(H,18,21)(H3,17,19,22)/t11-,14+/m1/s1
InChIKeyMQUIYLPUZMMUDG-RISCZKNCSA-N
XLogP1.39
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
(2R,3S)-N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 41144251
(2S,3S)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide
CID 32554764
N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 3391423
(2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide
CID 32554758
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 42908939
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
(2S,3S)-N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 9223897
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The IUPAC name of (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide (CID 2569295) is (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide is CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The InChIKey is MQUIYLPUZMMUDG-RISCZKNCSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-5-11(4)14(19-16(17)22)15(21)18-12-6-8-13(9-7-12)25(23,24)20-10(2)3/h6-11,14,20H,5H2,1-4H3,(H,18,21)(H3,17,19,22)/t11-,14+/m1/s1.
What are the key properties of (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide has a molecular weight of 370.48 g/mol, XLogP of 1.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 2569295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).