N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C18H27N3O4S — CID 112995368

IUPACN-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCN(C)C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-3-4-11-20(2)17(22)14-19-18(23)15-7-9-16(10-8-15)26(24,25)21-12-5-6-13-21/h7-10H,3-6,11-14H2,1-2H3,(H,19,23)
InChIKeyYNMAWFGLNQKPJK-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.46
Rot. Bonds8

About N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 112995368) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID112995368
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCN(C)C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-3-4-11-20(2)17(22)14-19-18(23)15-7-9-16(10-8-15)26(24,25)21-12-5-6-13-21/h7-10H,3-6,11-14H2,1-2H3,(H,19,23)
InChIKeyYNMAWFGLNQKPJK-UHFFFAOYSA-N
XLogP1.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973673
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 4881417
N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465902
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 112995368) is N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is CCCCN(C)C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YNMAWFGLNQKPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-3-4-11-20(2)17(22)14-19-18(23)15-7-9-16(10-8-15)26(24,25)21-12-5-6-13-21/h7-10H,3-6,11-14H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 112995368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).