1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea

C19H23N3O4S2 — CID 55698704

IUPAC1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C19H23N3O4S2/c1-26-18-9-8-16(28(24,25)21-13-4-5-13)11-17(18)20-19(23)22(14-6-7-14)12-15-3-2-10-27-15/h2-3,8-11,13-14,21H,4-7,12H2,1H3,(H,20,23)
InChIKeyTWPGMLWQTNVROD-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.39
Rot. Bonds8

About 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea

1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 55698704) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID55698704
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C19H23N3O4S2/c1-26-18-9-8-16(28(24,25)21-13-4-5-13)11-17(18)20-19(23)22(14-6-7-14)12-15-3-2-10-27-15/h2-3,8-11,13-14,21H,4-7,12H2,1H3,(H,20,23)
InChIKeyTWPGMLWQTNVROD-UHFFFAOYSA-N
XLogP3.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610830
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 30390345
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide
CID 31417881
3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610813
5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31840744
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619738
methyl 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-fluorobenzoate
CID 78879191
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea (CID 55698704) is 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is TWPGMLWQTNVROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-26-18-9-8-16(28(24,25)21-13-4-5-13)11-17(18)20-19(23)22(14-6-7-14)12-15-3-2-10-27-15/h2-3,8-11,13-14,21H,4-7,12H2,1H3,(H,20,23).
What are the key properties of 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea?
1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 421.54 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 55698704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).