2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide

C18H20N2OS — CID 42461714

IUPAC2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N[C@@H](C)Cc3cccs3)cccc2c1C
InChIInChI=1S/C18H20N2OS/c1-11(10-14-6-5-9-22-14)19-18(21)16-8-4-7-15-12(2)13(3)20-17(15)16/h4-9,11,20H,10H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyRDXWWTZKUDLNHA-NSHDSACASA-N
MW312.44 g/mol
LogP4.21
Rot. Bonds4

About 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide

2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide (PubChem CID 42461714) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide
PubChem CID42461714
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N[C@@H](C)Cc3cccs3)cccc2c1C
InChIInChI=1S/C18H20N2OS/c1-11(10-14-6-5-9-22-14)19-18(21)16-8-4-7-15-12(2)13(3)20-17(15)16/h4-9,11,20H,10H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyRDXWWTZKUDLNHA-NSHDSACASA-N
XLogP4.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63107914
2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112575891
6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyridine-2-carboxamide
CID 107261945
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 107358824
4-fluoro-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112702369
2-(ethylamino)-3-fluoro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63295814
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
CID 92604302
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 63296076
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide (CID 42461714) is 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)N[C@@H](C)Cc3cccs3)cccc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide?
The InChIKey is RDXWWTZKUDLNHA-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N2OS/c1-11(10-14-6-5-9-22-14)19-18(21)16-8-4-7-15-12(2)13(3)20-17(15)16/h4-9,11,20H,10H2,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide?
2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 42461714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).