[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

C16H24N2O5S2 — CID 30197174

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCC1CCC(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-12-4-6-13(7-5-12)18-14(19)11-23-15(20)8-9-17-25(21,22)16-3-2-10-24-16/h2-3,10,12-13,17H,4-9,11H2,1H3,(H,18,19)
InChIKeyPAIGJZLCACBIOK-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.65
Rot. Bonds8

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 30197174) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID30197174
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCC1CCC(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-12-4-6-13(7-5-12)18-14(19)11-23-15(20)8-9-17-25(21,22)16-3-2-10-24-16/h2-3,10,12-13,17H,4-9,11H2,1H3,(H,18,19)
InChIKeyPAIGJZLCACBIOK-UHFFFAOYSA-N
XLogP1.65
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 114550202
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7837000
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
CID 83202524
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805429
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 18283671
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836966
[2-(cyclopentylamino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978247
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320645
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320518
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836920
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836941
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (CID 30197174) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is CC1CCC(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is PAIGJZLCACBIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-12-4-6-13(7-5-12)18-14(19)11-23-15(20)8-9-17-25(21,22)16-3-2-10-24-16/h2-3,10,12-13,17H,4-9,11H2,1H3,(H,18,19).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 388.51 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 30197174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).