N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide

C16H22N2OS — CID 3816997

IUPACN-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
SMILESCCCN(CC1CC1)C(=S)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2OS/c1-3-10-18(11-13-6-7-13)16(20)17-15(19)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,19,20)
InChIKeyUGIBATFCGRGRBB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.13
Rot. Bonds5

About N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide

N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide (PubChem CID 3816997) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
PubChem CID3816997
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
SMILESCCCN(CC1CC1)C(=S)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2OS/c1-3-10-18(11-13-6-7-13)16(20)17-15(19)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,19,20)
InChIKeyUGIBATFCGRGRBB-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(dipropylcarbamothioyl)benzamide
CID 4924321
N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide
CID 2421810
N-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
N-(dipropylcarbamothioyl)-4-ethoxybenzamide
CID 4948995
N-(dibutylcarbamothioyl)-4-fluorobenzamide
CID 2294349
N-(cyclopropylmethyl)-2-hydrazinyl-5-methyl-N-propylbenzamide
CID 62511311
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
3-(4-bromo-3-methylphenyl)-1-(cyclopropylmethyl)-1-propylthiourea
CID 3837005
N-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylcarbamothioyl]-4-methylbenzamide
CID 3719090
N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide
CID 78794772
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 7263415

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide?
The IUPAC name of N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide (CID 3816997) is N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide.
What is the SMILES notation for N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide?
The canonical SMILES for N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide is CCCN(CC1CC1)C(=S)NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide?
The InChIKey is UGIBATFCGRGRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-10-18(11-13-6-7-13)16(20)17-15(19)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,19,20).
What are the key properties of N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide?
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide has a molecular weight of 290.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide is sourced from PubChem (CID 3816997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).