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

C18H30N4O4S — CID 4877923

IUPAC2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(CC(C)C)NC(N)=O)ccc1C
InChIInChI=1S/C18H30N4O4S/c1-6-22(7-2)27(25,26)16-11-14(9-8-13(16)5)20-17(23)15(10-12(3)4)21-18(19)24/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,20,23)(H3,19,21,24)
InChIKeyBLRJENRDBNUPNJ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.05
Rot. Bonds9

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

2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide (PubChem CID 4877923) has the molecular formula C18H30N4O4S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide
PubChem CID4877923
Molecular FormulaC18H30N4O4S
Molecular Weight398.53 g/mol
Exact Mass398.20
IUPAC Name2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(CC(C)C)NC(N)=O)ccc1C
InChIInChI=1S/C18H30N4O4S/c1-6-22(7-2)27(25,26)16-11-14(9-8-13(16)5)20-17(23)15(10-12(3)4)21-18(19)24/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,20,23)(H3,19,21,24)
InChIKeyBLRJENRDBNUPNJ-UHFFFAOYSA-N
XLogP2.05
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide (CID 4877923) is 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(CC(C)C)NC(N)=O)ccc1C.
What is the InChIKey of 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide?
The InChIKey is BLRJENRDBNUPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4S/c1-6-22(7-2)27(25,26)16-11-14(9-8-13(16)5)20-17(23)15(10-12(3)4)21-18(19)24/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,20,23)(H3,19,21,24).
What are the key properties of 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide?
2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide has a molecular weight of 398.53 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-methylpentanamide is sourced from PubChem (CID 4877923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).