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

C21H25N3OS — CID 18088808

IUPACN-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
SMILESCC(C)c1ccc(CN(CCC(=O)Nc2sccc2C#N)C2CC2)cc1
InChIInChI=1S/C21H25N3OS/c1-15(2)17-5-3-16(4-6-17)14-24(19-7-8-19)11-9-20(25)23-21-18(13-22)10-12-26-21/h3-6,10,12,15,19H,7-9,11,14H2,1-2H3,(H,23,25)
InChIKeyJVSNJWRPZYQZBE-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.74
Rot. Bonds8

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

N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide (PubChem CID 18088808) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
PubChem CID18088808
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
SMILESCC(C)c1ccc(CN(CCC(=O)Nc2sccc2C#N)C2CC2)cc1
InChIInChI=1S/C21H25N3OS/c1-15(2)17-5-3-16(4-6-17)14-24(19-7-8-19)11-9-20(25)23-21-18(13-22)10-12-26-21/h3-6,10,12,15,19H,7-9,11,14H2,1-2H3,(H,23,25)
InChIKeyJVSNJWRPZYQZBE-UHFFFAOYSA-N
XLogP4.74
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 18088734
N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028916
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
4-[[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 36926756
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 27082810
2-[butan-2-yl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]amino]acetic acid
CID 60834541
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838489
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
methyl 4-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylamino]butanoate
CID 62013277
(4-chlorophenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium
CID 9040917

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide (CID 18088808) is N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide is CC(C)c1ccc(CN(CCC(=O)Nc2sccc2C#N)C2CC2)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
The InChIKey is JVSNJWRPZYQZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-15(2)17-5-3-16(4-6-17)14-24(19-7-8-19)11-9-20(25)23-21-18(13-22)10-12-26-21/h3-6,10,12,15,19H,7-9,11,14H2,1-2H3,(H,23,25).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide?
N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide has a molecular weight of 367.52 g/mol, XLogP of 4.74, 8 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-propan-2-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 18088808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).