ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate

C21H35N3O5S — CID 46432510

IUPACethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1)CC(C)C
InChIInChI=1S/C21H35N3O5S/c1-7-24(8-2)30(27,28)19-13-17(11-10-16(19)6)20(25)22-14-18(12-15(4)5)23-21(26)29-9-3/h10-11,13,15,18H,7-9,12,14H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyWZCJCPINOQMFBI-UHFFFAOYSA-N
MW441.59 g/mol
LogP2.92
Rot. Bonds11

About ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 46432510) has the molecular formula C21H35N3O5S and a molecular weight of 441.59 g/mol. Its IUPAC name is ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID46432510
Molecular FormulaC21H35N3O5S
Molecular Weight441.59 g/mol
Exact Mass441.23
IUPAC Nameethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1)CC(C)C
InChIInChI=1S/C21H35N3O5S/c1-7-24(8-2)30(27,28)19-13-17(11-10-16(19)6)20(25)22-14-18(12-15(4)5)23-21(26)29-9-3/h10-11,13,15,18H,7-9,12,14H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyWZCJCPINOQMFBI-UHFFFAOYSA-N
XLogP2.92
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide
CID 71864150
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119668137
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
CID 60580044

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate (CID 46432510) is ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1)CC(C)C.
What is the InChIKey of ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is WZCJCPINOQMFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O5S/c1-7-24(8-2)30(27,28)19-13-17(11-10-16(19)6)20(25)22-14-18(12-15(4)5)23-21(26)29-9-3/h10-11,13,15,18H,7-9,12,14H2,1-6H3,(H,22,25)(H,23,26).
What are the key properties of ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 441.59 g/mol, XLogP of 2.92, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 46432510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).