1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide

C24H26N2O3S2 — CID 46548669

IUPAC1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide
SMILESCCCc1ccc(C(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-3-5-17-7-9-18(10-8-17)23(22-6-4-15-30-22)25-24(27)20-11-12-21-19(16-20)13-14-26(21)31(2,28)29/h4,6-12,15-16,23H,3,5,13-14H2,1-2H3,(H,25,27)
InChIKeyHHQQMYVSYMXERK-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.54
Rot. Bonds7

About 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide

1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 46548669) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID46548669
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide
SMILESCCCc1ccc(C(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-3-5-17-7-9-18(10-8-17)23(22-6-4-15-30-22)25-24(27)20-11-12-21-19(16-20)13-14-26(21)31(2,28)29/h4,6-12,15-16,23H,3,5,13-14H2,1-2H3,(H,25,27)
InChIKeyHHQQMYVSYMXERK-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
N-[(1S)-1-(4-chlorophenyl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40811861
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 16562066
1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 16561897
N-[2-(4-aminophenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119548178
1-ethyl-2,3-dioxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-4H-quinoxaline-6-carboxamide
CID 24550451
1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide
CID 29335269
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46655862
N-[(2R)-2-(ethylamino)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 120652193
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide (CID 46548669) is 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide is CCCc1ccc(C(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2cccs2)cc1.
What is the InChIKey of 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is HHQQMYVSYMXERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-3-5-17-7-9-18(10-8-17)23(22-6-4-15-30-22)25-24(27)20-11-12-21-19(16-20)13-14-26(21)31(2,28)29/h4,6-12,15-16,23H,3,5,13-14H2,1-2H3,(H,25,27).
What are the key properties of 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide?
1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46548669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).