N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide

C15H21ClN2OS — CID 82984602

IUPACN-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(C(N)=S)ccc1Cl
InChIInChI=1S/C15H21ClN2OS/c1-3-5-10(6-4-2)15(19)18-13-9-11(14(17)20)7-8-12(13)16/h7-10H,3-6H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyDLPHPAPXJORHEJ-UHFFFAOYSA-N
MW312.87 g/mol
LogP4.13
Rot. Bonds7

About N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide

N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide (PubChem CID 82984602) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide
PubChem CID82984602
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(C(N)=S)ccc1Cl
InChIInChI=1S/C15H21ClN2OS/c1-3-5-10(6-4-2)15(19)18-13-9-11(14(17)20)7-8-12(13)16/h7-10H,3-6H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyDLPHPAPXJORHEJ-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-2-aminopentanoyl]amino]-4-chlorobenzoic acid
CID 103869558
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide
CID 82984144
4-bromo-3-(2-propylpentanoylamino)benzoic acid
CID 107812571
N-(5-bromo-2-chlorophenyl)-2-carbamothioylbutanamide
CID 55132834
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-chlorobenzamide
CID 61174061
4-chloro-3-(sulfamoylamino)benzenecarbothioamide
CID 114959203
ethyl 4-chloro-3-[[3-(2-chloro-5-ethoxycarbonylanilino)-2-methyl-3-oxopropanoyl]amino]benzoate
CID 20719550
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 107143904
1-butyl-3-(4-carbamothioyl-2-chlorophenyl)urea
CID 107808646

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide?
The IUPAC name of N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide (CID 82984602) is N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide.
What is the SMILES notation for N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide?
The canonical SMILES for N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(C(N)=S)ccc1Cl.
What is the InChIKey of N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide?
The InChIKey is DLPHPAPXJORHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-3-5-10(6-4-2)15(19)18-13-9-11(14(17)20)7-8-12(13)16/h7-10H,3-6H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide?
N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide has a molecular weight of 312.87 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide is sourced from PubChem (CID 82984602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).