3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

C15H20N4O4S2 — CID 97433648

IUPAC3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)N(C)[C@H](C)c2nccs2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H20N4O4S2/c1-10(14-16-7-8-24-14)19(2)15(20)17-11-5-6-13(23-3)12(9-11)18-25(4,21)22/h5-10,18H,1-4H3,(H,17,20)/t10-/m1/s1
InChIKeyMFXDNCRYIYVCRO-SNVBAGLBSA-N
MW384.48 g/mol
LogP2.75
Rot. Bonds6

About 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 97433648) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID97433648
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)N(C)[C@H](C)c2nccs2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H20N4O4S2/c1-10(14-16-7-8-24-14)19(2)15(20)17-11-5-6-13(23-3)12(9-11)18-25(4,21)22/h5-10,18H,1-4H3,(H,17,20)/t10-/m1/s1
InChIKeyMFXDNCRYIYVCRO-SNVBAGLBSA-N
XLogP2.75
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97270903
N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
CID 52788633
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 37065929
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
CID 55690448
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725387
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 97433648) is 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is COc1ccc(NC(=O)N(C)[C@H](C)c2nccs2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is MFXDNCRYIYVCRO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-10(14-16-7-8-24-14)19(2)15(20)17-11-5-6-13(23-3)12(9-11)18-25(4,21)22/h5-10,18H,1-4H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 384.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 97433648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).