2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide

C14H22N2O4S2 — CID 99812788

IUPAC2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOC[C@@H](C)S(=O)(=O)NC(=O)c1sc(C2CCCC2)nc1C
InChIInChI=1S/C14H22N2O4S2/c1-9(8-20-3)22(18,19)16-13(17)12-10(2)15-14(21-12)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyANOBWQDWGVTAQS-SECBINFHSA-N
MW346.47 g/mol
LogP2.20
Rot. Bonds6

About 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide

2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 99812788) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID99812788
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOC[C@@H](C)S(=O)(=O)NC(=O)c1sc(C2CCCC2)nc1C
InChIInChI=1S/C14H22N2O4S2/c1-9(8-20-3)22(18,19)16-13(17)12-10(2)15-14(21-12)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyANOBWQDWGVTAQS-SECBINFHSA-N
XLogP2.20
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide (CID 99812788) is 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide is COC[C@@H](C)S(=O)(=O)NC(=O)c1sc(C2CCCC2)nc1C.
What is the InChIKey of 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ANOBWQDWGVTAQS-SECBINFHSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-9(8-20-3)22(18,19)16-13(17)12-10(2)15-14(21-12)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide?
2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99812788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).