[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

C17H26N2O5S2 — CID 24671323

IUPAC[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCC(OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H26N2O5S2/c1-13(17(21)19(2)14-7-4-3-5-8-14)24-15(20)10-11-18-26(22,23)16-9-6-12-25-16/h6,9,12-14,18H,3-5,7-8,10-11H2,1-2H3
InChIKeyPUHDYFZZOXEJDQ-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.14
Rot. Bonds8

About [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 24671323) has the molecular formula C17H26N2O5S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID24671323
Molecular FormulaC17H26N2O5S2
Molecular Weight402.54 g/mol
Exact Mass402.13
IUPAC Name[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCC(OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H26N2O5S2/c1-13(17(21)19(2)14-7-4-3-5-8-14)24-15(20)10-11-18-26(22,23)16-9-6-12-25-16/h6,9,12-14,18H,3-5,7-8,10-11H2,1-2H3
InChIKeyPUHDYFZZOXEJDQ-UHFFFAOYSA-N
XLogP2.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
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N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836890
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CID 27456306
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
CID 83202524
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
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2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
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CID 8880051
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836966
(2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
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methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
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Frequently Asked Questions

What is the IUPAC name of [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate (CID 24671323) is [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate is CC(OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)N(C)C1CCCCC1.
What is the InChIKey of [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is PUHDYFZZOXEJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S2/c1-13(17(21)19(2)14-7-4-3-5-8-14)24-15(20)10-11-18-26(22,23)16-9-6-12-25-16/h6,9,12-14,18H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate?
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 402.54 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 24671323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).