N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride

C19H32ClN3O4S — CID 120948480

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC2CNCC2O)c(C)c1C.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-11-12(2)14(4)19(15(5)13(11)3)27(25,26)22-7-6-18(24)21-9-16-8-20-10-17(16)23;/h16-17,20,22-23H,6-10H2,1-5H3,(H,21,24);1H
InChIKeyUMWKBHDLORSBDP-UHFFFAOYSA-N
MW434.00 g/mol
LogP1.02
Rot. Bonds7

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 120948480) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID120948480
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC2CNCC2O)c(C)c1C.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-11-12(2)14(4)19(15(5)13(11)3)27(25,26)22-7-6-18(24)21-9-16-8-20-10-17(16)23;/h16-17,20,22-23H,6-10H2,1-5H3,(H,21,24);1H
InChIKeyUMWKBHDLORSBDP-UHFFFAOYSA-N
XLogP1.02
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride with MolForge

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Related Compounds

3-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119176966
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119461187
5-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoylamino]pentanoic acid
CID 119234331
3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944731
N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119554581
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943963
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
CID 120944761
N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 120602480
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022
3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948869

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride (CID 120948480) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC2CNCC2O)c(C)c1C.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is UMWKBHDLORSBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-11-12(2)14(4)19(15(5)13(11)3)27(25,26)22-7-6-18(24)21-9-16-8-20-10-17(16)23;/h16-17,20,22-23H,6-10H2,1-5H3,(H,21,24);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 120948480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).