N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide

C18H31N3O3S — CID 7600988

IUPACN-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
SMILESCCN(CC)CCC[C@H](C)NS(=O)(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C18H31N3O3S/c1-4-21(5-2)14-9-10-16(3)20-25(23,24)15-13-19-18(22)17-11-7-6-8-12-17/h6-8,11-12,16,20H,4-5,9-10,13-15H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyDOCVLVGKFGAXNP-INIZCTEOSA-N
MW369.53 g/mol
LogP1.85
Rot. Bonds12

About N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide

N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide (PubChem CID 7600988) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
PubChem CID7600988
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
SMILESCCN(CC)CCC[C@H](C)NS(=O)(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C18H31N3O3S/c1-4-21(5-2)14-9-10-16(3)20-25(23,24)15-13-19-18(22)17-11-7-6-8-12-17/h6-8,11-12,16,20H,4-5,9-10,13-15H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyDOCVLVGKFGAXNP-INIZCTEOSA-N
XLogP1.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
CID 7618202
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]benzamide
CID 7600981
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 106059732
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
CID 61454676
N-[2-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111000099
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide?
The IUPAC name of N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide (CID 7600988) is N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide?
The canonical SMILES for N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide is CCN(CC)CCC[C@H](C)NS(=O)(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide?
The InChIKey is DOCVLVGKFGAXNP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-4-21(5-2)14-9-10-16(3)20-25(23,24)15-13-19-18(22)17-11-7-6-8-12-17/h6-8,11-12,16,20H,4-5,9-10,13-15H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide?
N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide has a molecular weight of 369.53 g/mol, XLogP of 1.85, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide is sourced from PubChem (CID 7600988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).