N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C19H31N3O3S — CID 8919211

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)N(CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)C
InChIInChI=1S/C19H31N3O3S/c1-15(2)22(16(3)4)14-11-20-19(23)17-7-9-18(10-8-17)26(24,25)21-12-5-6-13-21/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,20,23)
InChIKeyDXVBATAZSXBDMZ-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.32
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 8919211) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID8919211
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)N(CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)C
InChIInChI=1S/C19H31N3O3S/c1-15(2)22(16(3)4)14-11-20-19(23)17-7-9-18(10-8-17)26(24,25)21-12-5-6-13-21/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,20,23)
InChIKeyDXVBATAZSXBDMZ-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 113052548
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
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-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
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
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 113052281
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 8919211) is N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is CC(C)N(CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DXVBATAZSXBDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-15(2)22(16(3)4)14-11-20-19(23)17-7-9-18(10-8-17)26(24,25)21-12-5-6-13-21/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,20,23).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 381.54 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8919211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).