N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide

C18H20N4O2S — CID 119941075

IUPACN-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESO=C(CC1CSCCN1)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C18H20N4O2S/c23-17(10-16-12-25-9-8-20-16)21-14-5-3-13(4-6-14)18(24)22-15-2-1-7-19-11-15/h1-7,11,16,20H,8-10,12H2,(H,21,23)(H,22,24)
InChIKeyMKDCAVDIIFNVIA-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.37
Rot. Bonds5

About N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide

N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (PubChem CID 119941075) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
PubChem CID119941075
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESO=C(CC1CSCCN1)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C18H20N4O2S/c23-17(10-16-12-25-9-8-20-16)21-14-5-3-13(4-6-14)18(24)22-15-2-1-7-19-11-15/h1-7,11,16,20H,8-10,12H2,(H,21,23)(H,22,24)
InChIKeyMKDCAVDIIFNVIA-UHFFFAOYSA-N
XLogP2.37
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119942245
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
CID 119938258
N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941131
N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936833
N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
CID 119941733
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The IUPAC name of N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (CID 119941075) is N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.
What is the SMILES notation for N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The canonical SMILES for N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is O=C(CC1CSCCN1)Nc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The InChIKey is MKDCAVDIIFNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-17(10-16-12-25-9-8-20-16)21-14-5-3-13(4-6-14)18(24)22-15-2-1-7-19-11-15/h1-7,11,16,20H,8-10,12H2,(H,21,23)(H,22,24).
What are the key properties of N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide has a molecular weight of 356.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 119941075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).