1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea

C16H20N4O3S — CID 174993222

IUPAC1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
SMILESCc1cccc(-c2ccnc(N)c2S(=O)(=O)NC(=O)NC(C)C)c1
InChIInChI=1S/C16H20N4O3S/c1-10(2)19-16(21)20-24(22,23)14-13(7-8-18-15(14)17)12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H2,17,18)(H2,19,20,21)
InChIKeyRRZDNPWGAQGSLS-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.04
Rot. Bonds4

About 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea

1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea (PubChem CID 174993222) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
PubChem CID174993222
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
SMILESCc1cccc(-c2ccnc(N)c2S(=O)(=O)NC(=O)NC(C)C)c1
InChIInChI=1S/C16H20N4O3S/c1-10(2)19-16(21)20-24(22,23)14-13(7-8-18-15(14)17)12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H2,17,18)(H2,19,20,21)
InChIKeyRRZDNPWGAQGSLS-UHFFFAOYSA-N
XLogP2.04
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea (CID 174993222) is 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea is Cc1cccc(-c2ccnc(N)c2S(=O)(=O)NC(=O)NC(C)C)c1.
What is the InChIKey of 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The InChIKey is RRZDNPWGAQGSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10(2)19-16(21)20-24(22,23)14-13(7-8-18-15(14)17)12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H2,17,18)(H2,19,20,21).
What are the key properties of 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea has a molecular weight of 348.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-4-(3-methylphenyl)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea is sourced from PubChem (CID 174993222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).