[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate

C26H30N2O6S — CID 69365422

IUPAC[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate
SMILESCOc1ccc(-c2c(C3CCCCC3)c3sc(OC(=O)O)cc3n2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N2O6S/c1-32-19-9-7-18(8-10-19)24-23(17-5-3-2-4-6-17)25-20(15-22(35-25)34-26(30)31)28(24)16-21(29)27-11-13-33-14-12-27/h7-10,15,17H,2-6,11-14,16H2,1H3,(H,30,31)
InChIKeyGRDMECKUGPGSPT-UHFFFAOYSA-N
MW498.60 g/mol
LogP5.34
Rot. Bonds6

About [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate

[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate (PubChem CID 69365422) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate
PubChem CID69365422
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate
SMILESCOc1ccc(-c2c(C3CCCCC3)c3sc(OC(=O)O)cc3n2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N2O6S/c1-32-19-9-7-18(8-10-19)24-23(17-5-3-2-4-6-17)25-20(15-22(35-25)34-26(30)31)28(24)16-21(29)27-11-13-33-14-12-27/h7-10,15,17H,2-6,11-14,16H2,1H3,(H,30,31)
InChIKeyGRDMECKUGPGSPT-UHFFFAOYSA-N
XLogP5.34
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate with MolForge

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Related Compounds

4-[2-(tert-butylamino)-2-oxoethyl]-6-cyclohexyl-5-(4-methoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 11408757
4-[2-(benzylamino)-2-oxoethyl]-6-cyclohexyl-5-(4-methoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 11477599
[5-(4-chlorophenyl)-6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-[(propan-2-ylamino)methyl]thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate
CID 69363726
[5-(4-chlorophenyl)-6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-[(pyridin-4-ylmethylamino)methyl]thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate
CID 69364810
2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146520
5-(4-chlorophenyl)-6-cyclohexyl-3-[(4-methylpiperazin-1-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 11319370
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
CID 10026886
5-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]quinolin-6-yl]-6-cyclohexyl-4-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-2-carboxylic acid
CID 25031909
6-cyclohexyl-4-[2-(dimethylamino)-2-oxoethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 11432311
methyl 2-(2-bromoacetyl)-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate
CID 21105283
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate
CID 158184456
N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
CID 58923431

Frequently Asked Questions

What is the IUPAC name of [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate?
The IUPAC name of [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate (CID 69365422) is [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate.
What is the SMILES notation for [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate?
The canonical SMILES for [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate is COc1ccc(-c2c(C3CCCCC3)c3sc(OC(=O)O)cc3n2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate?
The InChIKey is GRDMECKUGPGSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-32-19-9-7-18(8-10-19)24-23(17-5-3-2-4-6-17)25-20(15-22(35-25)34-26(30)31)28(24)16-21(29)27-11-13-33-14-12-27/h7-10,15,17H,2-6,11-14,16H2,1H3,(H,30,31).
What are the key properties of [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate?
[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate has a molecular weight of 498.60 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate is sourced from PubChem (CID 69365422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).