N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide

C14H20N2OS — CID 62873267

IUPACN-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NC2CCCSC2)cc1
InChIInChI=1S/C14H20N2OS/c1-15-14(17)9-11-4-6-12(7-5-11)16-13-3-2-8-18-10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17)
InChIKeySYHWKIXZQUSXND-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.28
Rot. Bonds4

About N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide

N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide (PubChem CID 62873267) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide
PubChem CID62873267
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NC2CCCSC2)cc1
InChIInChI=1S/C14H20N2OS/c1-15-14(17)9-11-4-6-12(7-5-11)16-13-3-2-8-18-10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17)
InChIKeySYHWKIXZQUSXND-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(thian-3-ylamino)phenol
CID 62873090
N,N-diethyl-4-[[(3S)-thian-3-yl]amino]benzamide
CID 99836848
2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
CID 65074416
N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide
CID 63335569
N-methyl-2-[4-[(3-propan-2-ylcyclobutyl)amino]phenyl]acetamide
CID 103561305
N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide
CID 43713892
N-methyl-3-(thian-3-ylamino)benzamide
CID 55129966
4-N,4-N-diethyl-1-N-(thian-3-yl)benzene-1,4-diamine
CID 62873258
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
CID 115674764
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide
CID 43683733

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide (CID 62873267) is N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide is CNC(=O)Cc1ccc(NC2CCCSC2)cc1.
What is the InChIKey of N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide?
The InChIKey is SYHWKIXZQUSXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-15-14(17)9-11-4-6-12(7-5-11)16-13-3-2-8-18-10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17).
What are the key properties of N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide?
N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide has a molecular weight of 264.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 62873267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).