3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea

C13H23N3O3S2 — CID 56785704

IUPAC3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NCC(C)(C)NS(C)(=O)=O)s1
InChIInChI=1S/C13H23N3O3S2/c1-10-6-7-11(20-10)8-16(4)12(17)14-9-13(2,3)15-21(5,18)19/h6-7,15H,8-9H2,1-5H3,(H,14,17)
InChIKeyHUMGUHDDDQIZTP-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.53
Rot. Bonds6

About 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea

3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 56785704) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID56785704
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC Name3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NCC(C)(C)NS(C)(=O)=O)s1
InChIInChI=1S/C13H23N3O3S2/c1-10-6-7-11(20-10)8-16(4)12(17)14-9-13(2,3)15-21(5,18)19/h6-7,15H,8-9H2,1-5H3,(H,14,17)
InChIKeyHUMGUHDDDQIZTP-UHFFFAOYSA-N
XLogP1.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea (CID 56785704) is 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea is Cc1ccc(CN(C)C(=O)NCC(C)(C)NS(C)(=O)=O)s1.
What is the InChIKey of 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is HUMGUHDDDQIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-10-6-7-11(20-10)8-16(4)12(17)14-9-13(2,3)15-21(5,18)19/h6-7,15H,8-9H2,1-5H3,(H,14,17).
What are the key properties of 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea?
3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 333.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 56785704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).