N-methyl-4-(thian-4-ylamino)benzamide

C13H18N2OS — CID 43683708

IUPACN-methyl-4-(thian-4-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC2CCSCC2)cc1
InChIInChI=1S/C13H18N2OS/c1-14-13(16)10-2-4-11(5-3-10)15-12-6-8-17-9-7-12/h2-5,12,15H,6-9H2,1H3,(H,14,16)
InChIKeyXPQHVPMMOICFOW-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-4-(thian-4-ylamino)benzamide

N-methyl-4-(thian-4-ylamino)benzamide (PubChem CID 43683708) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-4-(thian-4-ylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-(thian-4-ylamino)benzamide
PubChem CID43683708
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-4-(thian-4-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC2CCSCC2)cc1
InChIInChI=1S/C13H18N2OS/c1-14-13(16)10-2-4-11(5-3-10)15-12-6-8-17-9-7-12/h2-5,12,15H,6-9H2,1H3,(H,14,16)
InChIKeyXPQHVPMMOICFOW-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
N-methyl-4-[(thian-4-ylamino)methyl]benzamide
CID 43329353
4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
CID 43721059
ethyl 4-(thian-4-ylamino)benzoate
CID 43511385
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
CID 152949444
4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide
CID 152830437
2-[4-(thian-4-ylamino)phenoxy]acetamide
CID 43711231
3-(thian-4-ylamino)benzoic acid
CID 43511387

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(thian-4-ylamino)benzamide?
The IUPAC name of N-methyl-4-(thian-4-ylamino)benzamide (CID 43683708) is N-methyl-4-(thian-4-ylamino)benzamide.
What is the SMILES notation for N-methyl-4-(thian-4-ylamino)benzamide?
The canonical SMILES for N-methyl-4-(thian-4-ylamino)benzamide is CNC(=O)c1ccc(NC2CCSCC2)cc1.
What is the InChIKey of N-methyl-4-(thian-4-ylamino)benzamide?
The InChIKey is XPQHVPMMOICFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-14-13(16)10-2-4-11(5-3-10)15-12-6-8-17-9-7-12/h2-5,12,15H,6-9H2,1H3,(H,14,16).
What are the key properties of N-methyl-4-(thian-4-ylamino)benzamide?
N-methyl-4-(thian-4-ylamino)benzamide has a molecular weight of 250.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(thian-4-ylamino)benzamide is sourced from PubChem (CID 43683708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).