2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C24H31N3O5S2 — CID 87134383

IUPAC2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(OC1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O5S2/c28-23(26-24-25-20-7-3-4-8-21(20)33-24)22(32-18-5-1-2-6-18)17-9-11-19(12-10-17)34(29,30)27-13-15-31-16-14-27/h9-12,18,22H,1-8,13-16H2,(H,25,26,28)
InChIKeyPGPFICDQQRQORY-UHFFFAOYSA-N
MW505.66 g/mol
LogP3.68
Rot. Bonds7

About 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 87134383) has the molecular formula C24H31N3O5S2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID87134383
Molecular FormulaC24H31N3O5S2
Molecular Weight505.66 g/mol
Exact Mass505.17
IUPAC Name2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(OC1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O5S2/c28-23(26-24-25-20-7-3-4-8-21(20)33-24)22(32-18-5-1-2-6-18)17-9-11-19(12-10-17)34(29,30)27-13-15-31-16-14-27/h9-12,18,22H,1-8,13-16H2,(H,25,26,28)
InChIKeyPGPFICDQQRQORY-UHFFFAOYSA-N
XLogP3.68
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 56846968
2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide
CID 56846970
2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 87134481
2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide
CID 56847533
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 60572157
2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-6,7-dihydro-5H-1,3-benzothiazole-4,4-dicarboxylic acid
CID 88861797
1-(4-cyanophenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17488488
1-(4-methoxyphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16829109
1-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethanone
CID 110829610
2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide
CID 87133948
1-(4-methylphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 2948520
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611843

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 87134383) is 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(Nc1nc2c(s1)CCCC2)C(OC1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PGPFICDQQRQORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S2/c28-23(26-24-25-20-7-3-4-8-21(20)33-24)22(32-18-5-1-2-6-18)17-9-11-19(12-10-17)34(29,30)27-13-15-31-16-14-27/h9-12,18,22H,1-8,13-16H2,(H,25,26,28).
What are the key properties of 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 505.66 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 87134383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).