3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide

C19H29N3O4S — CID 43064823

IUPAC3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
SMILESCCC(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-2-17(21-8-3-4-9-21)15-20-19(23)16-6-5-7-18(14-16)27(24,25)22-10-12-26-13-11-22/h5-7,14,17H,2-4,8-13,15H2,1H3,(H,20,23)
InChIKeyOTFGOZKEHTYOGW-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.31
Rot. Bonds7

About 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide

3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide (PubChem CID 43064823) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
PubChem CID43064823
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
SMILESCCC(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-2-17(21-8-3-4-9-21)15-20-19(23)16-6-5-7-18(14-16)27(24,25)22-10-12-26-13-11-22/h5-7,14,17H,2-4,8-13,15H2,1H3,(H,20,23)
InChIKeyOTFGOZKEHTYOGW-UHFFFAOYSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 42940229
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55602817
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30885727
3-iodo-N-[(2S)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658000
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide (CID 43064823) is 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide is CCC(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide?
The InChIKey is OTFGOZKEHTYOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-2-17(21-8-3-4-9-21)15-20-19(23)16-6-5-7-18(14-16)27(24,25)22-10-12-26-13-11-22/h5-7,14,17H,2-4,8-13,15H2,1H3,(H,20,23).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide?
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide has a molecular weight of 395.53 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide is sourced from PubChem (CID 43064823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).