cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C17H18N2O5S — CID 120677533

IUPACcis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H18N2O5S/c1-9-7-13(19-15(20)12-3-2-6-24-12)25-14(9)16(21)18-11-5-4-10(8-11)17(22)23/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11+/m1/s1
InChIKeyXNLPCIALSJMMOZ-MNOVXSKESA-N
MW362.41 g/mol
LogP2.88
Rot. Bonds5

About cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677533) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677533
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namecis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H18N2O5S/c1-9-7-13(19-15(20)12-3-2-6-24-12)25-14(9)16(21)18-11-5-4-10(8-11)17(22)23/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11+/m1/s1
InChIKeyXNLPCIALSJMMOZ-MNOVXSKESA-N
XLogP2.88
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888
N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55846633
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid
CID 119217971

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120677533) is cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XNLPCIALSJMMOZ-MNOVXSKESA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-9-7-13(19-15(20)12-3-2-6-24-12)25-14(9)16(21)18-11-5-4-10(8-11)17(22)23/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).