N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide

C23H31N3O5S — CID 167881212

IUPACN-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide
SMILESCCc1ccc(C(C)(C)C(=O)N[C@@H]2CC[C@H](NC(=O)c3cc(S(N)(=O)=O)c(C)o3)C2)cc1
InChIInChI=1S/C23H31N3O5S/c1-5-15-6-8-16(9-7-15)23(3,4)22(28)26-18-11-10-17(12-18)25-21(27)19-13-20(14(2)31-19)32(24,29)30/h6-9,13,17-18H,5,10-12H2,1-4H3,(H,25,27)(H,26,28)(H2,24,29,30)/t17-,18+/m0/s1
InChIKeyMYRVBFZDDIHEEF-ZWKOTPCHSA-N
MW461.58 g/mol
LogP2.54
Rot. Bonds7

About N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide

N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide (PubChem CID 167881212) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide
PubChem CID167881212
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide
SMILESCCc1ccc(C(C)(C)C(=O)N[C@@H]2CC[C@H](NC(=O)c3cc(S(N)(=O)=O)c(C)o3)C2)cc1
InChIInChI=1S/C23H31N3O5S/c1-5-15-6-8-16(9-7-15)23(3,4)22(28)26-18-11-10-17(12-18)25-21(27)19-13-20(14(2)31-19)32(24,29)30/h6-9,13,17-18H,5,10-12H2,1-4H3,(H,25,27)(H,26,28)(H2,24,29,30)/t17-,18+/m0/s1
InChIKeyMYRVBFZDDIHEEF-ZWKOTPCHSA-N
XLogP2.54
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide with MolForge

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Related Compounds

N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230045
5-methyl-4-sulfamoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)furan-2-carboxamide
CID 103767080
5-[(4,4-dimethylcyclohexyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398806
2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid
CID 119202013
2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide
CID 115056293
2-cyclopropyl-2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]acetic acid
CID 119213842
N-cyclopropyl-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65374093
tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 65382030
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015
(4,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 114342786

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide (CID 167881212) is N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide is CCc1ccc(C(C)(C)C(=O)N[C@@H]2CC[C@H](NC(=O)c3cc(S(N)(=O)=O)c(C)o3)C2)cc1.
What is the InChIKey of N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide?
The InChIKey is MYRVBFZDDIHEEF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-5-15-6-8-16(9-7-15)23(3,4)22(28)26-18-11-10-17(12-18)25-21(27)19-13-20(14(2)31-19)32(24,29)30/h6-9,13,17-18H,5,10-12H2,1-4H3,(H,25,27)(H,26,28)(H2,24,29,30)/t17-,18+/m0/s1.
What are the key properties of N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide?
N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 167881212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).