N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide

C24H19ClN6O2S — CID 54196712

IUPACN-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCCc1cc(C(=O)c2ccccc2Cl)c(C(NC(=O)c2cc3ccccc3[nH]2)c2nn[nH]n2)s1
InChIInChI=1S/C24H19ClN6O2S/c1-2-14-12-16(21(32)15-8-4-5-9-17(15)25)22(34-14)20(23-28-30-31-29-23)27-24(33)19-11-13-7-3-6-10-18(13)26-19/h3-12,20,26H,2H2,1H3,(H,27,33)(H,28,29,30,31)
InChIKeyPMIDUXRZKRIJPE-UHFFFAOYSA-N
MW490.98 g/mol
LogP4.71
Rot. Bonds7

About N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide

N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 54196712) has the molecular formula C24H19ClN6O2S and a molecular weight of 490.98 g/mol. Its IUPAC name is N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide
PubChem CID54196712
Molecular FormulaC24H19ClN6O2S
Molecular Weight490.98 g/mol
Exact Mass490.10
IUPAC NameN-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCCc1cc(C(=O)c2ccccc2Cl)c(C(NC(=O)c2cc3ccccc3[nH]2)c2nn[nH]n2)s1
InChIInChI=1S/C24H19ClN6O2S/c1-2-14-12-16(21(32)15-8-4-5-9-17(15)25)22(34-14)20(23-28-30-31-29-23)27-24(33)19-11-13-7-3-6-10-18(13)26-19/h3-12,20,26H,2H2,1H3,(H,27,33)(H,28,29,30,31)
InChIKeyPMIDUXRZKRIJPE-UHFFFAOYSA-N
XLogP4.71
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.98
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide (CID 54196712) is N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide is CCc1cc(C(=O)c2ccccc2Cl)c(C(NC(=O)c2cc3ccccc3[nH]2)c2nn[nH]n2)s1.
What is the InChIKey of N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is PMIDUXRZKRIJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O2S/c1-2-14-12-16(21(32)15-8-4-5-9-17(15)25)22(34-14)20(23-28-30-31-29-23)27-24(33)19-11-13-7-3-6-10-18(13)26-19/h3-12,20,26H,2H2,1H3,(H,27,33)(H,28,29,30,31).
What are the key properties of N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide?
N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 490.98 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-(2H-tetrazol-5-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 54196712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).