4-carbamothioyl-N-propan-2-yl-N-propylbenzamide

C14H20N2OS — CID 43269726

IUPAC4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C(N)=S)cc1)C(C)C
InChIInChI=1S/C14H20N2OS/c1-4-9-16(10(2)3)14(17)12-7-5-11(6-8-12)13(15)18/h5-8,10H,4,9H2,1-3H3,(H2,15,18)
InChIKeyGNMQBIWOPRWXKO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.58
Rot. Bonds5

About 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide

4-carbamothioyl-N-propan-2-yl-N-propylbenzamide (PubChem CID 43269726) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
PubChem CID43269726
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C(N)=S)cc1)C(C)C
InChIInChI=1S/C14H20N2OS/c1-4-9-16(10(2)3)14(17)12-7-5-11(6-8-12)13(15)18/h5-8,10H,4,9H2,1-3H3,(H2,15,18)
InChIKeyGNMQBIWOPRWXKO-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.58
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-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
CID 43269463
4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 43269658
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
4-[[propan-2-yl(propyl)amino]methyl]benzenecarbothioamide
CID 43269597
4-[propan-2-yl(propyl)amino]benzenecarbothioamide
CID 43269754
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
CID 61378658
4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429258
4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide (CID 43269726) is 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(C(N)=S)cc1)C(C)C.
What is the InChIKey of 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide?
The InChIKey is GNMQBIWOPRWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-9-16(10(2)3)14(17)12-7-5-11(6-8-12)13(15)18/h5-8,10H,4,9H2,1-3H3,(H2,15,18).
What are the key properties of 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide?
4-carbamothioyl-N-propan-2-yl-N-propylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 43269726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).