N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C20H23N3O3S — CID 55412191

IUPACN-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C20H23N3O3S/c24-20(23(18-6-7-18)15-16-8-10-21-11-9-16)17-4-3-5-19(14-17)27(25,26)22-12-1-2-13-22/h3-5,8-11,14,18H,1-2,6-7,12-13,15H2
InChIKeyHBEJWACVLNQOSX-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.67
Rot. Bonds6

About N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55412191) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55412191
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C20H23N3O3S/c24-20(23(18-6-7-18)15-16-8-10-21-11-9-16)17-4-3-5-19(14-17)27(25,26)22-12-1-2-13-22/h3-5,8-11,14,18H,1-2,6-7,12-13,15H2
InChIKeyHBEJWACVLNQOSX-UHFFFAOYSA-N
XLogP2.67
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55549426
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78853789
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
N-(2-cyanoethyl)-N-(oxan-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 56534737
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
N-[(4-methoxyphenyl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26250316
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532378
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55412191) is N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is HBEJWACVLNQOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-20(23(18-6-7-18)15-16-8-10-21-11-9-16)17-4-3-5-19(14-17)27(25,26)22-12-1-2-13-22/h3-5,8-11,14,18H,1-2,6-7,12-13,15H2.
What are the key properties of N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55412191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).