N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C23H25N3O3S — CID 39337246

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C23H25N3O3S/c27-23(18-4-8-21(9-5-18)30(28,29)25-13-1-2-14-25)26(20-6-7-20)16-17-3-10-22-19(15-17)11-12-24-22/h3-5,8-12,15,20,24H,1-2,6-7,13-14,16H2
InChIKeyAISHIZCUHOGRQO-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.76
Rot. Bonds6

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 39337246) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID39337246
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C23H25N3O3S/c27-23(18-4-8-21(9-5-18)30(28,29)25-13-1-2-14-25)26(20-6-7-20)16-17-3-10-22-19(15-17)11-12-24-22/h3-5,8-12,15,20,24H,1-2,6-7,13-14,16H2
InChIKeyAISHIZCUHOGRQO-UHFFFAOYSA-N
XLogP3.76
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 39349715
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
CID 39313525
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 118789700
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90496092
cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74243543
N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55412191
N-benzyl-N-cyclopropyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 46420855
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 39348998
2-[cyclopentyl(1H-indole-5-carbonyl)amino]acetic acid
CID 63748053
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide
CID 39313919

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 39337246) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is AISHIZCUHOGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-23(18-4-8-21(9-5-18)30(28,29)25-13-1-2-14-25)26(20-6-7-20)16-17-3-10-22-19(15-17)11-12-24-22/h3-5,8-12,15,20,24H,1-2,6-7,13-14,16H2.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 423.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 39337246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).