N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide

C18H22N2OS3 — CID 32630712

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccsc1
InChIInChI=1S/C18H22N2OS3/c1-20(2)16(15-7-8-22-12-15)11-19-17(21)13-3-5-14(6-4-13)18-23-9-10-24-18/h3-8,12,16,18H,9-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyRFILKUNSEPFBCE-INIZCTEOSA-N
MW378.59 g/mol
LogP4.26
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide (PubChem CID 32630712) has the molecular formula C18H22N2OS3 and a molecular weight of 378.59 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
PubChem CID32630712
Molecular FormulaC18H22N2OS3
Molecular Weight378.59 g/mol
Exact Mass378.09
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccsc1
InChIInChI=1S/C18H22N2OS3/c1-20(2)16(15-7-8-22-12-15)11-19-17(21)13-3-5-14(6-4-13)18-23-9-10-24-18/h3-8,12,16,18H,9-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyRFILKUNSEPFBCE-INIZCTEOSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide 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

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32635881
N-[2-(diethylamino)propyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 86981262
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
CID 26702921
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 43060793
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 32629427
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide (CID 32630712) is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide is CN(C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccsc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide?
The InChIKey is RFILKUNSEPFBCE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2OS3/c1-20(2)16(15-7-8-22-12-15)11-19-17(21)13-3-5-14(6-4-13)18-23-9-10-24-18/h3-8,12,16,18H,9-11H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide has a molecular weight of 378.59 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide is sourced from PubChem (CID 32630712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).