N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide

C19H31N3O3S — CID 119554581

IUPACN-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)C2CCNC2)c(C)c1C
InChIInChI=1S/C19H31N3O3S/c1-12-13(2)15(4)19(16(5)14(12)3)26(24,25)21-10-8-18(23)22(6)17-7-9-20-11-17/h17,20-21H,7-11H2,1-6H3
InChIKeyQVMAFALMSBXZFC-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.72
Rot. Bonds6

About N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide

N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide (PubChem CID 119554581) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
PubChem CID119554581
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)C2CCNC2)c(C)c1C
InChIInChI=1S/C19H31N3O3S/c1-12-13(2)15(4)19(16(5)14(12)3)26(24,25)21-10-8-18(23)22(6)17-7-9-20-11-17/h17,20-21H,7-11H2,1-6H3
InChIKeyQVMAFALMSBXZFC-UHFFFAOYSA-N
XLogP1.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-pyrrolidin-3-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119553738
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441195
N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119443531
N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119530760
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442101
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide (CID 119554581) is N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)C2CCNC2)c(C)c1C.
What is the InChIKey of N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide?
The InChIKey is QVMAFALMSBXZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-12-13(2)15(4)19(16(5)14(12)3)26(24,25)21-10-8-18(23)22(6)17-7-9-20-11-17/h17,20-21H,7-11H2,1-6H3.
What are the key properties of N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide?
N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide has a molecular weight of 381.54 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119554581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).