N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide

C16H24N2O2S — CID 95155246

IUPACN-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
SMILESCOc1ccc(CC[C@H](C)NC(=O)N2CCSCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-13(17-16(19)18-9-11-21-12-10-18)3-4-14-5-7-15(20-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyRUGGOJSKUOSOPP-ZDUSSCGKSA-N
MW308.45 g/mol
LogP2.77
Rot. Bonds5

About N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide

N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide (PubChem CID 95155246) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
PubChem CID95155246
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
SMILESCOc1ccc(CC[C@H](C)NC(=O)N2CCSCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-13(17-16(19)18-9-11-21-12-10-18)3-4-14-5-7-15(20-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyRUGGOJSKUOSOPP-ZDUSSCGKSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 86855169
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55589558
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 95588981
(2R,6R)-4-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 125131288
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 110901487
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288084

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide (CID 95155246) is N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide is COc1ccc(CC[C@H](C)NC(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide?
The InChIKey is RUGGOJSKUOSOPP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13(17-16(19)18-9-11-21-12-10-18)3-4-14-5-7-15(20-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide?
N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 95155246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).