N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

C19H32ClN3O3S — CID 119530760

IUPACN-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCCCN(C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)C1CCNC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-5-10-22(17-6-8-20-13-17)18(23)7-9-21-26(24,25)19-15(3)11-14(2)12-16(19)4;/h11-12,17,20-21H,5-10,13H2,1-4H3;1H
InChIKeyVWIPHANBMTYEEQ-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.30
Rot. Bonds8

About N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119530760) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119530760
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCCCN(C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)C1CCNC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-5-10-22(17-6-8-20-13-17)18(23)7-9-21-26(24,25)19-15(3)11-14(2)12-16(19)4;/h11-12,17,20-21H,5-10,13H2,1-4H3;1H
InChIKeyVWIPHANBMTYEEQ-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119461187
N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119554581
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
CID 119532455
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 167918992
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119532735
N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299793

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (CID 119530760) is N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is CCCN(C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)C1CCNC1.Cl.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is VWIPHANBMTYEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-5-10-22(17-6-8-20-13-17)18(23)7-9-21-26(24,25)19-15(3)11-14(2)12-16(19)4;/h11-12,17,20-21H,5-10,13H2,1-4H3;1H.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119530760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).