[3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate

C18H19NO4S — CID 68799400

IUPAC[3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1sc(-c2ccccc2)cc1NCC(=O)C1CCCC1
InChIInChI=1S/C18H19NO4S/c20-15(12-6-4-5-7-12)11-19-14-10-16(13-8-2-1-3-9-13)24-17(14)23-18(21)22/h1-3,8-10,12,19H,4-7,11H2,(H,21,22)
InChIKeyWQYSVUKQTVGVEU-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.64
Rot. Bonds6

About [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate

[3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate (PubChem CID 68799400) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
PubChem CID68799400
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name[3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1sc(-c2ccccc2)cc1NCC(=O)C1CCCC1
InChIInChI=1S/C18H19NO4S/c20-15(12-6-4-5-7-12)11-19-14-10-16(13-8-2-1-3-9-13)24-17(14)23-18(21)22/h1-3,8-10,12,19H,4-7,11H2,(H,21,22)
InChIKeyWQYSVUKQTVGVEU-UHFFFAOYSA-N
XLogP4.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-1-cyclobutylethanone
CID 116555468
[3-[cyclobutanecarbonyl-[(2-methylphenyl)methyl]amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799462
[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800521
[3-[3-cyclopentylpropanoyl(ethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799450
[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798644
[3-[(3-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799598
[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798684
ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
CID 841453
3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid
CID 22496289
[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68797248
[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68799415
[3-[cyclopropanecarbonyl-[(4-nitrophenyl)methyl]amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799790

Frequently Asked Questions

What is the IUPAC name of [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The IUPAC name of [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate (CID 68799400) is [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate is O=C(O)Oc1sc(-c2ccccc2)cc1NCC(=O)C1CCCC1.
What is the InChIKey of [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The InChIKey is WQYSVUKQTVGVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-15(12-6-4-5-7-12)11-19-14-10-16(13-8-2-1-3-9-13)24-17(14)23-18(21)22/h1-3,8-10,12,19H,4-7,11H2,(H,21,22).
What are the key properties of [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate?
[3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate has a molecular weight of 345.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68799400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).