3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C18H27N3O4S — CID 30482085

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCCN2CCCC2=O)cc1C
InChIInChI=1S/C18H27N3O4S/c1-14-6-7-16(13-15(14)2)26(24,25)20-10-8-17(22)19-9-4-12-21-11-3-5-18(21)23/h6-7,13,20H,3-5,8-12H2,1-2H3,(H,19,22)
InChIKeyZRIPTKMMNJNKIZ-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.10
Rot. Bonds9

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 30482085) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID30482085
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCCN2CCCC2=O)cc1C
InChIInChI=1S/C18H27N3O4S/c1-14-6-7-16(13-15(14)2)26(24,25)20-10-8-17(22)19-9-4-12-21-11-3-5-18(21)23/h6-7,13,20H,3-5,8-12H2,1-2H3,(H,19,22)
InChIKeyZRIPTKMMNJNKIZ-UHFFFAOYSA-N
XLogP1.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
CID 46457679
3-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CID 78791575
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
3-[(4-tert-butylphenyl)sulfonylamino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]propanamide
CID 56558538
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35499280
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25342302
3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573891

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 30482085) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCCCN2CCCC2=O)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is ZRIPTKMMNJNKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14-6-7-16(13-15(14)2)26(24,25)20-10-8-17(22)19-9-4-12-21-11-3-5-18(21)23/h6-7,13,20H,3-5,8-12H2,1-2H3,(H,19,22).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 30482085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).