1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea

C16H20N4O4S — CID 14475217

IUPAC1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(CO)c1
InChIInChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22)
InChIKeyWCYVLAMJCQZUCR-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.71
Rot. Bonds6

About 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea

1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea (PubChem CID 14475217) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
PubChem CID14475217
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(CO)c1
InChIInChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22)
InChIKeyWCYVLAMJCQZUCR-UHFFFAOYSA-N
XLogP1.71
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea (CID 14475217) is 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea is CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(CO)c1.
What is the InChIKey of 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The InChIKey is WCYVLAMJCQZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22).
What are the key properties of 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea has a molecular weight of 364.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]-3-propan-2-ylurea is sourced from PubChem (CID 14475217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).