(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide

C17H28N4O4S — CID 8017826

IUPAC(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc1C
InChIInChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)14-10-13(9-8-12(14)5)19-16(22)15(11(3)4)20-17(18)23/h8-11,15H,6-7H2,1-5H3,(H,19,22)(H3,18,20,23)/t15-/m0/s1
InChIKeyQZAVVFKEDDUHGP-HNNXBMFYSA-N
MW384.50 g/mol
LogP1.66
Rot. Bonds8

About (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide

(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide (PubChem CID 8017826) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
PubChem CID8017826
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc1C
InChIInChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)14-10-13(9-8-12(14)5)19-16(22)15(11(3)4)20-17(18)23/h8-11,15H,6-7H2,1-5H3,(H,19,22)(H3,18,20,23)/t15-/m0/s1
InChIKeyQZAVVFKEDDUHGP-HNNXBMFYSA-N
XLogP1.66
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide (CID 8017826) is (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc1C.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The InChIKey is QZAVVFKEDDUHGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)14-10-13(9-8-12(14)5)19-16(22)15(11(3)4)20-17(18)23/h8-11,15H,6-7H2,1-5H3,(H,19,22)(H3,18,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide has a molecular weight of 384.50 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 8017826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).