N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide

C18H16FN3O2S — CID 55963207

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(F)cccc2s1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H16FN3O2S/c1-10(11-5-7-12(8-6-11)22-18(20)24)21-17(23)16-9-13-14(19)3-2-4-15(13)25-16/h2-10H,1H3,(H,21,23)(H3,20,22,24)
InChIKeyCAPHNJGKOOAQCH-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.02
Rot. Bonds4

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 55963207) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID55963207
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(F)cccc2s1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H16FN3O2S/c1-10(11-5-7-12(8-6-11)22-18(20)24)21-17(23)16-9-13-14(19)3-2-4-15(13)25-16/h2-10H,1H3,(H,21,23)(H3,20,22,24)
InChIKeyCAPHNJGKOOAQCH-UHFFFAOYSA-N
XLogP4.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807
4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 9118932
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 30481509
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 30372793
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 55963207) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide is CC(NC(=O)c1cc2c(F)cccc2s1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is CAPHNJGKOOAQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-10(11-5-7-12(8-6-11)22-18(20)24)21-17(23)16-9-13-14(19)3-2-4-15(13)25-16/h2-10H,1H3,(H,21,23)(H3,20,22,24).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55963207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).