4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide

C18H31N3O3S — CID 95341841

IUPAC4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(CC)CC)cc1
InChIInChI=1S/C18H31N3O3S/c1-6-20(7-2)15(5)14-19-25(23,24)17-12-10-16(11-13-17)18(22)21(8-3)9-4/h10-13,15,19H,6-9,14H2,1-5H3/t15-/m0/s1
InChIKeyVSJWWONGYOGGSE-HNNXBMFYSA-N
MW369.53 g/mol
LogP2.18
Rot. Bonds10

About 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide

4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide (PubChem CID 95341841) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
PubChem CID95341841
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(CC)CC)cc1
InChIInChI=1S/C18H31N3O3S/c1-6-20(7-2)15(5)14-19-25(23,24)17-12-10-16(11-13-17)18(22)21(8-3)9-4/h10-13,15,19H,6-9,14H2,1-5H3/t15-/m0/s1
InChIKeyVSJWWONGYOGGSE-HNNXBMFYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
N,N-diethyl-4-(methoxysulfamoyl)benzamide
CID 47051185
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
CID 119960282
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)-N-(2-methylpropyl)benzamide
CID 55836803
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 18136198
3-[[4-(butan-2-ylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119190814
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
CID 47954952

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide (CID 95341841) is 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(CC)CC)cc1.
What is the InChIKey of 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide?
The InChIKey is VSJWWONGYOGGSE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-6-20(7-2)15(5)14-19-25(23,24)17-12-10-16(11-13-17)18(22)21(8-3)9-4/h10-13,15,19H,6-9,14H2,1-5H3/t15-/m0/s1.
What are the key properties of 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide?
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide has a molecular weight of 369.53 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide is sourced from PubChem (CID 95341841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).