[4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate

C21H25N3O5S — CID 137356416

IUPAC[4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(C(=O)Nc2ccc3oc(C(=O)N4CCSCC4)cc3c2)CC1
InChIInChI=1S/C21H25N3O5S/c22-21(27)28-16-4-1-13(2-5-16)19(25)23-15-3-6-17-14(11-15)12-18(29-17)20(26)24-7-9-30-10-8-24/h3,6,11-13,16H,1-2,4-5,7-10H2,(H2,22,27)(H,23,25)
InChIKeyYRVHBBLGYWUEMI-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.21
Rot. Bonds4

About [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate

[4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate (PubChem CID 137356416) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate
PubChem CID137356416
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name[4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(C(=O)Nc2ccc3oc(C(=O)N4CCSCC4)cc3c2)CC1
InChIInChI=1S/C21H25N3O5S/c22-21(27)28-16-4-1-13(2-5-16)19(25)23-15-3-6-17-14(11-15)12-18(29-17)20(26)24-7-9-30-10-8-24/h3,6,11-13,16H,1-2,4-5,7-10H2,(H2,22,27)(H,23,25)
InChIKeyYRVHBBLGYWUEMI-UHFFFAOYSA-N
XLogP3.21
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate with MolForge

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Related Compounds

5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 52688722
5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690794
5-[[(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylic acid;dihydrochloride
CID 118088689
[1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]piperidin-4-yl] carbamate
CID 175133699
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 60850506
4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 112525589
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate?
The IUPAC name of [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate (CID 137356416) is [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate.
What is the SMILES notation for [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate?
The canonical SMILES for [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate is NC(=O)OC1CCC(C(=O)Nc2ccc3oc(C(=O)N4CCSCC4)cc3c2)CC1.
What is the InChIKey of [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate?
The InChIKey is YRVHBBLGYWUEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c22-21(27)28-16-4-1-13(2-5-16)19(25)23-15-3-6-17-14(11-15)12-18(29-17)20(26)24-7-9-30-10-8-24/h3,6,11-13,16H,1-2,4-5,7-10H2,(H2,22,27)(H,23,25).
What are the key properties of [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate?
[4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate has a molecular weight of 431.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate is sourced from PubChem (CID 137356416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).