2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide

C21H25N3O2S — CID 120556634

IUPAC2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCC1CNCCC1NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H25N3O2S/c1-13-12-22-9-7-18(13)23-20(26)17-8-10-27-21(17)24-19(25)16-6-5-14-3-2-4-15(14)11-16/h5-6,8,10-11,13,18,22H,2-4,7,9,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyXQEZSEBJZBRGPN-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.22
Rot. Bonds4

About 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide

2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide (PubChem CID 120556634) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
PubChem CID120556634
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCC1CNCCC1NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H25N3O2S/c1-13-12-22-9-7-18(13)23-20(26)17-8-10-27-21(17)24-19(25)16-6-5-14-3-2-4-15(14)11-16/h5-6,8,10-11,13,18,22H,2-4,7,9,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyXQEZSEBJZBRGPN-UHFFFAOYSA-N
XLogP3.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-piperidin-4-ylthiophene-3-carboxamide
CID 119388601
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 119462719
N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119579024
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
CID 119615790
2-[(4-propan-2-ylbenzoyl)amino]-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 119449720
N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119423582
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid
CID 119362239
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119485689
2-benzamido-N-(3-methylpiperidin-4-yl)benzamide
CID 120557141
1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
CID 120557717

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide (CID 120556634) is 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide is CC1CNCCC1NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide?
The InChIKey is XQEZSEBJZBRGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-13-12-22-9-7-18(13)23-20(26)17-8-10-27-21(17)24-19(25)16-6-5-14-3-2-4-15(14)11-16/h5-6,8,10-11,13,18,22H,2-4,7,9,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide?
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 120556634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).