N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide

C14H17NO3S — CID 95046623

IUPACN-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide
SMILESCC[C@@H](CO)N(Cc1cccs1)C(=O)c1ccoc1
InChIInChI=1S/C14H17NO3S/c1-2-12(9-16)15(8-13-4-3-7-19-13)14(17)11-5-6-18-10-11/h3-7,10,12,16H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyUNSRXKYSCQRLOM-LBPRGKRZSA-N
MW279.36 g/mol
LogP2.75
Rot. Bonds6

About N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide (PubChem CID 95046623) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide
PubChem CID95046623
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide
SMILESCC[C@@H](CO)N(Cc1cccs1)C(=O)c1ccoc1
InChIInChI=1S/C14H17NO3S/c1-2-12(9-16)15(8-13-4-3-7-19-13)14(17)11-5-6-18-10-11/h3-7,10,12,16H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyUNSRXKYSCQRLOM-LBPRGKRZSA-N
XLogP2.75
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 46992278
N-(1-hydroxybutan-2-yl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 46994886
3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46984966
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
CID 46993383
N-butan-2-yl-N-butylfuran-3-carboxamide
CID 78858377
3-[[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81067110
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol
CID 46991200
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]furan-3-carboxamide
CID 39931388

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide (CID 95046623) is N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide is CC[C@@H](CO)N(Cc1cccs1)C(=O)c1ccoc1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The InChIKey is UNSRXKYSCQRLOM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-2-12(9-16)15(8-13-4-3-7-19-13)14(17)11-5-6-18-10-11/h3-7,10,12,16H,2,8-9H2,1H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 95046623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).