(1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide

C30H32N6O6S — CID 145175890

IUPAC(1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@]2(NC(=O)NS(=O)(=O)N[C@@H](Cc3ccccc3)c3nc(C)no3)CC2c2ccccc2)cc1
InChIInChI=1S/C30H32N6O6S/c1-20-31-27(42-33-20)26(18-21-10-6-4-7-11-21)34-43(39,40)35-29(38)32-30(19-25(30)22-12-8-5-9-13-22)28(37)36(2)23-14-16-24(41-3)17-15-23/h4-17,25-26,34H,18-19H2,1-3H3,(H2,32,35,38)/t25?,26-,30-/m0/s1
InChIKeyBSGQCGLVNAIMIB-OKAYPCMGSA-N
MW604.69 g/mol
LogP3.39
Rot. Bonds11

About (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide

(1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 145175890) has the molecular formula C30H32N6O6S and a molecular weight of 604.69 g/mol. Its IUPAC name is (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID145175890
Molecular FormulaC30H32N6O6S
Molecular Weight604.69 g/mol
Exact Mass604.21
IUPAC Name(1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@]2(NC(=O)NS(=O)(=O)N[C@@H](Cc3ccccc3)c3nc(C)no3)CC2c2ccccc2)cc1
InChIInChI=1S/C30H32N6O6S/c1-20-31-27(42-33-20)26(18-21-10-6-4-7-11-21)34-43(39,40)35-29(38)32-30(19-25(30)22-12-8-5-9-13-22)28(37)36(2)23-14-16-24(41-3)17-15-23/h4-17,25-26,34H,18-19H2,1-3H3,(H2,32,35,38)/t25?,26-,30-/m0/s1
InChIKeyBSGQCGLVNAIMIB-OKAYPCMGSA-N
XLogP3.39
TPSA155.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.69
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide (CID 145175890) is (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide is COc1ccc(N(C)C(=O)[C@]2(NC(=O)NS(=O)(=O)N[C@@H](Cc3ccccc3)c3nc(C)no3)CC2c2ccccc2)cc1.
What is the InChIKey of (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BSGQCGLVNAIMIB-OKAYPCMGSA-N. The full InChI is InChI=1S/C30H32N6O6S/c1-20-31-27(42-33-20)26(18-21-10-6-4-7-11-21)34-43(39,40)35-29(38)32-30(19-25(30)22-12-8-5-9-13-22)28(37)36(2)23-14-16-24(41-3)17-15-23/h4-17,25-26,34H,18-19H2,1-3H3,(H2,32,35,38)/t25?,26-,30-/m0/s1.
What are the key properties of (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide?
(1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 604.69 g/mol, XLogP of 3.39, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-methoxyphenyl)-N-methyl-1-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]sulfamoylcarbamoylamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 145175890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).