2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide

C18H27N3OS — CID 119869911

IUPAC2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESCc1cc(CN2CCSCC2)ccc1NC(=O)CNCC1CC1
InChIInChI=1S/C18H27N3OS/c1-14-10-16(13-21-6-8-23-9-7-21)4-5-17(14)20-18(22)12-19-11-15-2-3-15/h4-5,10,15,19H,2-3,6-9,11-13H2,1H3,(H,20,22)
InChIKeyKPOBLIBJAHSECI-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.48
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide

2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 119869911) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
PubChem CID119869911
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESCc1cc(CN2CCSCC2)ccc1NC(=O)CNCC1CC1
InChIInChI=1S/C18H27N3OS/c1-14-10-16(13-21-6-8-23-9-7-21)4-5-17(14)20-18(22)12-19-11-15-2-3-15/h4-5,10,15,19H,2-3,6-9,11-13H2,1H3,(H,20,22)
InChIKeyKPOBLIBJAHSECI-UHFFFAOYSA-N
XLogP2.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869930
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869974
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
4-amino-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869979
3-(3,4-dimethoxyphenyl)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 75929503
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 52827023
N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 47090643
4-[2-methyl-5-(thiomorpholin-4-ylmethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029750
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 166181839
2-(cyclopropylmethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671879

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide (CID 119869911) is 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide is Cc1cc(CN2CCSCC2)ccc1NC(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is KPOBLIBJAHSECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-14-10-16(13-21-6-8-23-9-7-21)4-5-17(14)20-18(22)12-19-11-15-2-3-15/h4-5,10,15,19H,2-3,6-9,11-13H2,1H3,(H,20,22).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 333.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 119869911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).