2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide

C18H17N3O3S — CID 8755238

IUPAC2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C18H17N3O3S/c19-17(23)13-8-10-25-18(13)21-15(22)11-20-16(14-7-4-9-24-14)12-5-2-1-3-6-12/h1-10,16,20H,11H2,(H2,19,23)(H,21,22)/t16-/m1/s1
InChIKeyLPWXXHOBBJQABH-MRXNPFEDSA-N
MW355.42 g/mol
LogP2.76
Rot. Bonds7

About 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 8755238) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
PubChem CID8755238
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C18H17N3O3S/c19-17(23)13-8-10-25-18(13)21-15(22)11-20-16(14-7-4-9-24-14)12-5-2-1-3-6-12/h1-10,16,20H,11H2,(H2,19,23)(H,21,22)/t16-/m1/s1
InChIKeyLPWXXHOBBJQABH-MRXNPFEDSA-N
XLogP2.76
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)acetamide
CID 8755106
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-naphthalen-1-ylacetamide
CID 8695978
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
N-(2-benzylphenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755114
N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696064
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 8730419
2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9133741
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide (CID 8755238) is 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN[C@H](c1ccccc1)c1ccco1.
What is the InChIKey of 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is LPWXXHOBBJQABH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-17(23)13-8-10-25-18(13)21-15(22)11-20-16(14-7-4-9-24-14)12-5-2-1-3-6-12/h1-10,16,20H,11H2,(H2,19,23)(H,21,22)/t16-/m1/s1.
What are the key properties of 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8755238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).