1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide

C19H23N3O2S — CID 32633489

IUPAC1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)ccc21
InChIInChI=1S/C19H23N3O2S/c1-13(23)22-8-6-14-10-15(4-5-17(14)22)19(24)20-11-18(21(2)3)16-7-9-25-12-16/h4-5,7,9-10,12,18H,6,8,11H2,1-3H3,(H,20,24)/t18-/m1/s1
InChIKeyVDTPAJVMOBGQJQ-GOSISDBHSA-N
MW357.48 g/mol
LogP2.69
Rot. Bonds5

About 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 32633489) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID32633489
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)ccc21
InChIInChI=1S/C19H23N3O2S/c1-13(23)22-8-6-14-10-15(4-5-17(14)22)19(24)20-11-18(21(2)3)16-7-9-25-12-16/h4-5,7,9-10,12,18H,6,8,11H2,1-3H3,(H,20,24)/t18-/m1/s1
InChIKeyVDTPAJVMOBGQJQ-GOSISDBHSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 47024535
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 51865035
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32635881
1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 60580165
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
1-acetyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 97086803
1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 62089817
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide (CID 32633489) is 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)ccc21.
What is the InChIKey of 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is VDTPAJVMOBGQJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13(23)22-8-6-14-10-15(4-5-17(14)22)19(24)20-11-18(21(2)3)16-7-9-25-12-16/h4-5,7,9-10,12,18H,6,8,11H2,1-3H3,(H,20,24)/t18-/m1/s1.
What are the key properties of 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 32633489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).