N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C19H29N3O4S — CID 113052548

IUPACN-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)CC(C)C
InChIInChI=1S/C19H29N3O4S/c1-15(2)14-21(16(3)23)13-10-20-19(24)17-6-8-18(9-7-17)27(25,26)22-11-4-5-12-22/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24)
InChIKeyQEVNNULIRURFSM-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.71
Rot. Bonds8

About N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 113052548) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID113052548
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)CC(C)C
InChIInChI=1S/C19H29N3O4S/c1-15(2)14-21(16(3)23)13-10-20-19(24)17-6-8-18(9-7-17)27(25,26)22-11-4-5-12-22/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24)
InChIKeyQEVNNULIRURFSM-UHFFFAOYSA-N
XLogP1.71
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 113052281
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919223
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8733150

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 113052548) is N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is CC(=O)N(CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)CC(C)C.
What is the InChIKey of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is QEVNNULIRURFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-15(2)14-21(16(3)23)13-10-20-19(24)17-6-8-18(9-7-17)27(25,26)22-11-4-5-12-22/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24).
What are the key properties of N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 395.53 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 113052548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).