N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C26H35N3O4S — CID 17480002

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)N2CCCC2)c1
InChIInChI=1S/C26H35N3O4S/c1-20-11-12-22(18-25(20)34(31,32)29-15-4-3-5-16-29)26(30)27-19-24(28-13-6-7-14-28)21-9-8-10-23(17-21)33-2/h8-12,17-18,24H,3-7,13-16,19H2,1-2H3,(H,27,30)
InChIKeyYOOIZDYFWCLXBX-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.75
Rot. Bonds8

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 17480002) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID17480002
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)N2CCCC2)c1
InChIInChI=1S/C26H35N3O4S/c1-20-11-12-22(18-25(20)34(31,32)29-15-4-3-5-16-29)26(30)27-19-24(28-13-6-7-14-28)21-9-8-10-23(17-21)33-2/h8-12,17-18,24H,3-7,13-16,19H2,1-2H3,(H,27,30)
InChIKeyYOOIZDYFWCLXBX-UHFFFAOYSA-N
XLogP3.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25435903
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide
CID 16831444
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 46446884

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 17480002) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is COc1cccc(C(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is YOOIZDYFWCLXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-20-11-12-22(18-25(20)34(31,32)29-15-4-3-5-16-29)26(30)27-19-24(28-13-6-7-14-28)21-9-8-10-23(17-21)33-2/h8-12,17-18,24H,3-7,13-16,19H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 485.65 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 17480002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).