1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea

C13H20N2OS — CID 110774685

IUPAC1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
SMILESCC(C)NC(=O)Nc1ccc(SC(C)C)cc1
InChIInChI=1S/C13H20N2OS/c1-9(2)14-13(16)15-11-5-7-12(8-6-11)17-10(3)4/h5-10H,1-4H3,(H2,14,15,16)
InChIKeyQQKDKTCIMQRSLB-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.72
Rot. Bonds4

About 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea

1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea (PubChem CID 110774685) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
PubChem CID110774685
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
SMILESCC(C)NC(=O)Nc1ccc(SC(C)C)cc1
InChIInChI=1S/C13H20N2OS/c1-9(2)14-13(16)15-11-5-7-12(8-6-11)17-10(3)4/h5-10H,1-4H3,(H2,14,15,16)
InChIKeyQQKDKTCIMQRSLB-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 55963798
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
3-chloro-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115162345
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
methyl (1Z)-N-amino-4-(propan-2-ylcarbamoylamino)benzenecarboximidothioate
CID 146539008
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea?
The IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea (CID 110774685) is 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea is CC(C)NC(=O)Nc1ccc(SC(C)C)cc1.
What is the InChIKey of 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea?
The InChIKey is QQKDKTCIMQRSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)14-13(16)15-11-5-7-12(8-6-11)17-10(3)4/h5-10H,1-4H3,(H2,14,15,16).
What are the key properties of 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea?
1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea has a molecular weight of 252.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea is sourced from PubChem (CID 110774685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).