N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C18H29N3O3S — CID 46432914

IUPACN-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CC)C(C)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-20(5-2)15(3)14-19-18(22)16-8-10-17(11-9-16)25(23,24)21-12-6-7-13-21/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKeyUBUJHIADFZDCFF-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.93
Rot. Bonds8

About N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 46432914) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID46432914
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CC)C(C)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-20(5-2)15(3)14-19-18(22)16-8-10-17(11-9-16)25(23,24)21-12-6-7-13-21/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,22)
InChIKeyUBUJHIADFZDCFF-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919223
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8733150
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 46432914) is N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide is CCN(CC)C(C)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is UBUJHIADFZDCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-20(5-2)15(3)14-19-18(22)16-8-10-17(11-9-16)25(23,24)21-12-6-7-13-21/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 367.52 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46432914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).