1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea

C15H17ClN2O3S2 — CID 3528042

IUPAC1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1scc(S(=O)(=O)C(C)C)c1Cl
InChIInChI=1S/C15H17ClN2O3S2/c1-9(2)23(20,21)12-8-22-14(13(12)16)18-15(19)17-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyKUVNXHYCXUDITE-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.54
Rot. Bonds4

About 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea

1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea (PubChem CID 3528042) has the molecular formula C15H17ClN2O3S2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea
PubChem CID3528042
Molecular FormulaC15H17ClN2O3S2
Molecular Weight372.90 g/mol
Exact Mass372.04
IUPAC Name1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1scc(S(=O)(=O)C(C)C)c1Cl
InChIInChI=1S/C15H17ClN2O3S2/c1-9(2)23(20,21)12-8-22-14(13(12)16)18-15(19)17-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyKUVNXHYCXUDITE-UHFFFAOYSA-N
XLogP4.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea (CID 3528042) is 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1scc(S(=O)(=O)C(C)C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea?
The InChIKey is KUVNXHYCXUDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S2/c1-9(2)23(20,21)12-8-22-14(13(12)16)18-15(19)17-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea?
1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea has a molecular weight of 372.90 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 3528042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).