N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C22H29N3O3S — CID 8909751

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(C)c1
InChIInChI=1S/C22H29N3O3S/c1-3-24(20-10-6-8-18(2)16-20)15-12-23-22(26)19-9-7-11-21(17-19)29(27,28)25-13-4-5-14-25/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,23,26)
InChIKeyIZHHVHAZEJUWLB-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 8909751) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID8909751
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(C)c1
InChIInChI=1S/C22H29N3O3S/c1-3-24(20-10-6-8-18(2)16-20)15-12-23-22(26)19-9-7-11-21(17-19)29(27,28)25-13-4-5-14-25/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,23,26)
InChIKeyIZHHVHAZEJUWLB-UHFFFAOYSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 109063269
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329054
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 134061332
3-(azepan-1-ylsulfonyl)-N-[3-(N-methylanilino)propyl]benzamide
CID 26178010
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(diethylamino)ethyl]benzamide
CID 19257232
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
N-[3-(N-ethylanilino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332368

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 8909751) is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is CCN(CCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is IZHHVHAZEJUWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-24(20-10-6-8-18(2)16-20)15-12-23-22(26)19-9-7-11-21(17-19)29(27,28)25-13-4-5-14-25/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 415.56 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8909751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).