N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C18H22N2O3S2 — CID 4785262

IUPACN-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-9-14(2)11-15(10-13)19-17(21)12-16-5-6-18(24-16)25(22,23)20-7-3-4-8-20/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,19,21)
InChIKeyQYPFFXWHYFHGFS-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.33
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 4785262) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID4785262
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-9-14(2)11-15(10-13)19-17(21)12-16-5-6-18(24-16)25(22,23)20-7-3-4-8-20/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,19,21)
InChIKeyQYPFFXWHYFHGFS-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}butanamide
CID 71297183
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4290749
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
N-(4-Dipropylsulfamoyl-phenyl)-2-thiophen-2-yl-acetamide
CID 2931351
N-(3-Ethylphenyl)-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15987880
N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-ylacetamide
CID 1077847
5-methyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1245786
N-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-2-thiophen-2-yl-acetamide
CID 2931550
N~1~-(3-ethylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 4318849

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 4785262) is N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is Cc1cc(C)cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is QYPFFXWHYFHGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-9-14(2)11-15(10-13)19-17(21)12-16-5-6-18(24-16)25(22,23)20-7-3-4-8-20/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 4785262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).