2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide

C21H19N3OS — CID 17235513

IUPAC2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C21H19N3OS/c25-20(14-16-8-3-1-4-9-16)22-18-12-7-13-19(15-18)24-21(26)23-17-10-5-2-6-11-17/h1-13,15H,14H2,(H,22,25)(H2,23,24,26)
InChIKeyLTFJWIBDZRXBLD-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.68
Rot. Bonds5

About 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide

2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide (PubChem CID 17235513) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
PubChem CID17235513
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C21H19N3OS/c25-20(14-16-8-3-1-4-9-16)22-18-12-7-13-19(15-18)24-21(26)23-17-10-5-2-6-11-17/h1-13,15H,14H2,(H,22,25)(H2,23,24,26)
InChIKeyLTFJWIBDZRXBLD-UHFFFAOYSA-N
XLogP4.68
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 3305913
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
2-methoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide
CID 17235835
4-hydroxy-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 161300490
3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17223129
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
3-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 26160937
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide (CID 17235513) is 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide is O=C(Cc1ccccc1)Nc1cccc(NC(=S)Nc2ccccc2)c1.
What is the InChIKey of 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide?
The InChIKey is LTFJWIBDZRXBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c25-20(14-16-8-3-1-4-9-16)22-18-12-7-13-19(15-18)24-21(26)23-17-10-5-2-6-11-17/h1-13,15H,14H2,(H,22,25)(H2,23,24,26).
What are the key properties of 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide?
2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide is sourced from PubChem (CID 17235513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).