N-butyl-2,3-diphenylpropanethioamide

C19H23NS — CID 101226122

IUPACN-butyl-2,3-diphenylpropanethioamide
SMILESCCCCNC(=S)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NS/c1-2-3-14-20-19(21)18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,18H,2-3,14-15H2,1H3,(H,20,21)
InChIKeyWOZMMJLQIHQFEP-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.73
Rot. Bonds7

About N-butyl-2,3-diphenylpropanethioamide

N-butyl-2,3-diphenylpropanethioamide (PubChem CID 101226122) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-butyl-2,3-diphenylpropanethioamide.

Molecular Properties

Compound NameN-butyl-2,3-diphenylpropanethioamide
PubChem CID101226122
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-butyl-2,3-diphenylpropanethioamide
SMILESCCCCNC(=S)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NS/c1-2-3-14-20-19(21)18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,18H,2-3,14-15H2,1H3,(H,20,21)
InChIKeyWOZMMJLQIHQFEP-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-2,3-diphenylpropanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-(4-fluorophenyl)-3-phenylpropanethioamide
CID 101226123
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
1,1-dibenzyl-3-butylthiourea
CID 3522415
1-dodecyl-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiourea
CID 142665776
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-octylthiourea
CID 142665779
(2R)-2-(hexylcarbamoylamino)-3-phenylpropanoic acid
CID 7003826
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-octylthiourea
CID 142665778
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
N-butyl-2-phenylpropanamide
CID 101453557
(2R)-2-ethoxy-3-[4-[(3S)-3-phenyl-4-(propylamino)-4-sulfanylidenebutyl]phenyl]propanoic acid
CID 25106354

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-diphenylpropanethioamide?
The IUPAC name of N-butyl-2,3-diphenylpropanethioamide (CID 101226122) is N-butyl-2,3-diphenylpropanethioamide.
What is the SMILES notation for N-butyl-2,3-diphenylpropanethioamide?
The canonical SMILES for N-butyl-2,3-diphenylpropanethioamide is CCCCNC(=S)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-2,3-diphenylpropanethioamide?
The InChIKey is WOZMMJLQIHQFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-2-3-14-20-19(21)18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,18H,2-3,14-15H2,1H3,(H,20,21).
What are the key properties of N-butyl-2,3-diphenylpropanethioamide?
N-butyl-2,3-diphenylpropanethioamide has a molecular weight of 297.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-diphenylpropanethioamide is sourced from PubChem (CID 101226122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).