N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C20H27ClN2O3S — CID 170580748

IUPACN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)N[C@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C20H27ClN2O3S/c21-17-7-3-6-16(12-17)20(15-4-1-2-5-15)22-18(24)13-27-14-19(25)23-8-10-26-11-9-23/h3,6-7,12,15,20H,1-2,4-5,8-11,13-14H2,(H,22,24)/t20-/m0/s1
InChIKeyWHMJKCMNPLQWND-FQEVSTJZSA-N
MW410.97 g/mol
LogP3.28
Rot. Bonds7

About N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 170580748) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID170580748
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC NameN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)N[C@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C20H27ClN2O3S/c21-17-7-3-6-16(12-17)20(15-4-1-2-5-15)22-18(24)13-27-14-19(25)23-8-10-26-11-9-23/h3,6-7,12,15,20H,1-2,4-5,8-11,13-14H2,(H,22,24)/t20-/m0/s1
InChIKeyWHMJKCMNPLQWND-FQEVSTJZSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60559067
N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119591812
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117
N-(2,2-dimethyl-1-phenylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60568639
(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide
CID 170580069
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 170578752
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide
CID 170580171
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
1-[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452318
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone
CID 111487350
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 170580748) is N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCOCC1)N[C@H](c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is WHMJKCMNPLQWND-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27ClN2O3S/c21-17-7-3-6-16(12-17)20(15-4-1-2-5-15)22-18(24)13-27-14-19(25)23-8-10-26-11-9-23/h3,6-7,12,15,20H,1-2,4-5,8-11,13-14H2,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 410.97 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 170580748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).