N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide

C17H24N2O2S2 — CID 112503232

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)CCCc1ccccc1)c1cccs1
InChIInChI=1S/C17H24N2O2S2/c1-19(2)16(17-11-6-12-22-17)14-18-23(20,21)13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,16,18H,7,10,13-14H2,1-2H3
InChIKeyKHOJZVMZQDYAGX-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.90
Rot. Bonds9

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 112503232) has the molecular formula C17H24N2O2S2 and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide
PubChem CID112503232
Molecular FormulaC17H24N2O2S2
Molecular Weight352.52 g/mol
Exact Mass352.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)CCCc1ccccc1)c1cccs1
InChIInChI=1S/C17H24N2O2S2/c1-19(2)16(17-11-6-12-22-17)14-18-23(20,21)13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,16,18H,7,10,13-14H2,1-2H3
InChIKeyKHOJZVMZQDYAGX-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268
N-(tert-Butylcarbamoyl-methyl)-N-thiophen-2-ylmethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 3206927
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
methyl N'-(1-phenylethyl)-N-thiophen-2-ylsulfonylcarbamimidothioate
CID 4525745

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide (CID 112503232) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide is CN(C)C(CNS(=O)(=O)CCCc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is KHOJZVMZQDYAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S2/c1-19(2)16(17-11-6-12-22-17)14-18-23(20,21)13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,16,18H,7,10,13-14H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 352.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 112503232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).