N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C20H25N3O4S — CID 55806058

IUPACN-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C20H25N3O4S/c1-13-12-16(23-19(25)15-8-5-11-27-15)28-17(13)20(26)22-10-9-21-18(24)14-6-3-2-4-7-14/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyNWKGKSYJCXXOPK-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.33
Rot. Bonds7

About N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 55806058) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID55806058
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C20H25N3O4S/c1-13-12-16(23-19(25)15-8-5-11-27-15)28-17(13)20(26)22-10-9-21-18(24)14-6-3-2-4-7-14/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyNWKGKSYJCXXOPK-UHFFFAOYSA-N
XLogP3.33
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007
N-[4-methyl-5-(pyrrolidin-2-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119511877
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
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119446697
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 55806058) is N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is NWKGKSYJCXXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-12-16(23-19(25)15-8-5-11-27-15)28-17(13)20(26)22-10-9-21-18(24)14-6-3-2-4-7-14/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55806058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).