[3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate

C24H24N6O5S — CID 69356134

IUPAC[3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate
SMILESCOc1cc2c(Oc3ccc(C4(C(N)=O)CCCC4)cc3)c(OC(=O)Nc3nn[nH]n3)sc2cc1C
InChIInChI=1S/C24H24N6O5S/c1-13-11-18-16(12-17(13)33-2)19(20(36-18)35-23(32)26-22-27-29-30-28-22)34-15-7-5-14(6-8-15)24(21(25)31)9-3-4-10-24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,25,31)(H2,26,27,28,29,30,32)
InChIKeyDQUGZZRFSSILIM-UHFFFAOYSA-N
MW508.56 g/mol
LogP4.43
Rot. Bonds7

About [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate

[3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate (PubChem CID 69356134) has the molecular formula C24H24N6O5S and a molecular weight of 508.56 g/mol. Its IUPAC name is [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate.

Molecular Properties

Compound Name[3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate
PubChem CID69356134
Molecular FormulaC24H24N6O5S
Molecular Weight508.56 g/mol
Exact Mass508.15
IUPAC Name[3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate
SMILESCOc1cc2c(Oc3ccc(C4(C(N)=O)CCCC4)cc3)c(OC(=O)Nc3nn[nH]n3)sc2cc1C
InChIInChI=1S/C24H24N6O5S/c1-13-11-18-16(12-17(13)33-2)19(20(36-18)35-23(32)26-22-27-29-30-28-22)34-15-7-5-14(6-8-15)24(21(25)31)9-3-4-10-24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,25,31)(H2,26,27,28,29,30,32)
InChIKeyDQUGZZRFSSILIM-UHFFFAOYSA-N
XLogP4.43
TPSA154.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.56
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate?
The IUPAC name of [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate (CID 69356134) is [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate.
What is the SMILES notation for [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate?
The canonical SMILES for [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate is COc1cc2c(Oc3ccc(C4(C(N)=O)CCCC4)cc3)c(OC(=O)Nc3nn[nH]n3)sc2cc1C.
What is the InChIKey of [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate?
The InChIKey is DQUGZZRFSSILIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5S/c1-13-11-18-16(12-17(13)33-2)19(20(36-18)35-23(32)26-22-27-29-30-28-22)34-15-7-5-14(6-8-15)24(21(25)31)9-3-4-10-24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,25,31)(H2,26,27,28,29,30,32).
What are the key properties of [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate?
[3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate has a molecular weight of 508.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-carbamoylcyclopentyl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate is sourced from PubChem (CID 69356134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).