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

C17H22N4O3S2 — CID 95782917

IUPAC1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc([C@@H](C)NC(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1
InChIInChI=1S/C17H22N4O3S2/c1-11-10-25-16(19-11)12(2)20-17(22)21-14-5-7-15(8-6-14)26(23,24)18-9-13-3-4-13/h5-8,10,12-13,18H,3-4,9H2,1-2H3,(H2,20,21,22)/t12-/m1/s1
InChIKeyAOIYWBYSZLKXOS-GFCCVEGCSA-N
MW394.52 g/mol
LogP3.02
Rot. Bonds7

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

1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 95782917) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID95782917
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc([C@@H](C)NC(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1
InChIInChI=1S/C17H22N4O3S2/c1-11-10-25-16(19-11)12(2)20-17(22)21-14-5-7-15(8-6-14)26(23,24)18-9-13-3-4-13/h5-8,10,12-13,18H,3-4,9H2,1-2H3,(H2,20,21,22)/t12-/m1/s1
InChIKeyAOIYWBYSZLKXOS-GFCCVEGCSA-N
XLogP3.02
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79533664
1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 86882671
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanamide
CID 86886275
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 78877116
N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
N-[4-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 110291740
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119720516
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 95782917) is 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc([C@@H](C)NC(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1.
What is the InChIKey of 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is AOIYWBYSZLKXOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-11-10-25-16(19-11)12(2)20-17(22)21-14-5-7-15(8-6-14)26(23,24)18-9-13-3-4-13/h5-8,10,12-13,18H,3-4,9H2,1-2H3,(H2,20,21,22)/t12-/m1/s1.
What are the key properties of 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 394.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 95782917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).