N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide

C18H24N2OS2 — CID 78772713

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C18H24N2OS2/c1-13(2)23-16-9-6-5-8-14(16)18(21)19-12-15(20(3)4)17-10-7-11-22-17/h5-11,13,15H,12H2,1-4H3,(H,19,21)
InChIKeyOOVFKERLWAIIAC-UHFFFAOYSA-N
MW348.54 g/mol
LogP4.28
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 78772713) has the molecular formula C18H24N2OS2 and a molecular weight of 348.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID78772713
Molecular FormulaC18H24N2OS2
Molecular Weight348.54 g/mol
Exact Mass348.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C18H24N2OS2/c1-13(2)23-16-9-6-5-8-14(16)18(21)19-12-15(20(3)4)17-10-7-11-22-17/h5-11,13,15H,12H2,1-4H3,(H,19,21)
InChIKeyOOVFKERLWAIIAC-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 9118288
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylfuran-3-carboxamide
CID 35058132
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-2-nitrobenzamide
CID 18161703
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 18161921
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 95742865
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide
CID 55719688
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide (CID 78772713) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is OOVFKERLWAIIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS2/c1-13(2)23-16-9-6-5-8-14(16)18(21)19-12-15(20(3)4)17-10-7-11-22-17/h5-11,13,15H,12H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 348.54 g/mol, XLogP of 4.28, 7 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]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 78772713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).