N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide

C18H18FN3OS — CID 18088734

IUPACN-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide
SMILESN#Cc1ccsc1NC(=O)CCN(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H18FN3OS/c19-15-3-1-13(2-4-15)12-22(16-5-6-16)9-7-17(23)21-18-14(11-20)8-10-24-18/h1-4,8,10,16H,5-7,9,12H2,(H,21,23)
InChIKeyDMHKJQXXKWMAFC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.75
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide

N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide (PubChem CID 18088734) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide
PubChem CID18088734
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide
SMILESN#Cc1ccsc1NC(=O)CCN(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H18FN3OS/c19-15-3-1-13(2-4-15)12-22(16-5-6-16)9-7-17(23)21-18-14(11-20)8-10-24-18/h1-4,8,10,16H,5-7,9,12H2,(H,21,23)
InChIKeyDMHKJQXXKWMAFC-UHFFFAOYSA-N
XLogP3.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 18088808
4-[[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 36926756
3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide
CID 66215515
N-(3-cyanothiophen-2-yl)-3-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8761244
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945166
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 26649156
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552867
N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221696
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 27082810
methyl 4-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylamino]butanoate
CID 62013277
N-(3-cyanothiophen-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide
CID 18586001
N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
CID 18089068

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide (CID 18088734) is N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide is N#Cc1ccsc1NC(=O)CCN(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide?
The InChIKey is DMHKJQXXKWMAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-15-3-1-13(2-4-15)12-22(16-5-6-16)9-7-17(23)21-18-14(11-20)8-10-24-18/h1-4,8,10,16H,5-7,9,12H2,(H,21,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide?
N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide has a molecular weight of 343.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 18088734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).