(2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide

C16H26N4O5S — CID 9474012

IUPAC(2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H26N4O5S/c1-6-10(2)14(19-16(17)22)15(21)18-11-7-8-12(25-5)13(9-11)26(23,24)20(3)4/h7-10,14H,6H2,1-5H3,(H,18,21)(H3,17,19,22)/t10-,14-/m0/s1
InChIKeyMCVYLNUFANBLIK-HZMBPMFUSA-N
MW386.47 g/mol
LogP0.97
Rot. Bonds8

About (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide

(2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide (PubChem CID 9474012) has the molecular formula C16H26N4O5S and a molecular weight of 386.47 g/mol. Its IUPAC name is (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide
PubChem CID9474012
Molecular FormulaC16H26N4O5S
Molecular Weight386.47 g/mol
Exact Mass386.16
IUPAC Name(2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H26N4O5S/c1-6-10(2)14(19-16(17)22)15(21)18-11-7-8-12(25-5)13(9-11)26(23,24)20(3)4/h7-10,14H,6H2,1-5H3,(H,18,21)(H3,17,19,22)/t10-,14-/m0/s1
InChIKeyMCVYLNUFANBLIK-HZMBPMFUSA-N
XLogP0.97
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
CID 2373139
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 24636258
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
(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
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
(2S,3S)-N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 9223897
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide (CID 9474012) is (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide is CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide?
The InChIKey is MCVYLNUFANBLIK-HZMBPMFUSA-N. The full InChI is InChI=1S/C16H26N4O5S/c1-6-10(2)14(19-16(17)22)15(21)18-11-7-8-12(25-5)13(9-11)26(23,24)20(3)4/h7-10,14H,6H2,1-5H3,(H,18,21)(H3,17,19,22)/t10-,14-/m0/s1.
What are the key properties of (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide?
(2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide has a molecular weight of 386.47 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methylpentanamide is sourced from PubChem (CID 9474012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).