(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide

C21H35N3O3S — CID 8650061

IUPAC(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H35N3O3S/c1-5-24(6-2)28(26,27)20-14-12-18(13-15-20)16(3)22-17(4)21(25)23-19-10-8-7-9-11-19/h12-17,19,22H,5-11H2,1-4H3,(H,23,25)/t16-,17-/m0/s1
InChIKeyIEFQVPSVHMHXNX-IRXDYDNUSA-N
MW409.60 g/mol
LogP3.21
Rot. Bonds9

About (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide

(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide (PubChem CID 8650061) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
PubChem CID8650061
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Name(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H35N3O3S/c1-5-24(6-2)28(26,27)20-14-12-18(13-15-20)16(3)22-17(4)21(25)23-19-10-8-7-9-11-19/h12-17,19,22H,5-11H2,1-4H3,(H,23,25)/t16-,17-/m0/s1
InChIKeyIEFQVPSVHMHXNX-IRXDYDNUSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide with MolForge

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Related Compounds

(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650158
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 8650124
methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate
CID 8650979
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609591
N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 51936691
2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55432689
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
N-cycloheptyl-4-(dipropylsulfamoyl)benzamide
CID 109061201
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide (CID 8650061) is (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide?
The InChIKey is IEFQVPSVHMHXNX-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-5-24(6-2)28(26,27)20-14-12-18(13-15-20)16(3)22-17(4)21(25)23-19-10-8-7-9-11-19/h12-17,19,22H,5-11H2,1-4H3,(H,23,25)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide?
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide has a molecular weight of 409.60 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide is sourced from PubChem (CID 8650061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).