N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide

C14H15ClN2OS — CID 79419634

IUPACN-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C14H15ClN2OS/c1-2-14(18)17-12-5-3-11(4-6-12)16-8-13-7-10(15)9-19-13/h3-7,9,16H,2,8H2,1H3,(H,17,18)
InChIKeyPSEXDURGIHXROL-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.36
Rot. Bonds5

About N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide

N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide (PubChem CID 79419634) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
PubChem CID79419634
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C14H15ClN2OS/c1-2-14(18)17-12-5-3-11(4-6-12)16-8-13-7-10(15)9-19-13/h3-7,9,16H,2,8H2,1H3,(H,17,18)
InChIKeyPSEXDURGIHXROL-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
CID 60790033
N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 79420119
4-N-[(4-chlorothiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486438
2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol
CID 79419830
N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide
CID 114452478
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
methyl 3-[(4-chlorothiophen-2-yl)methylamino]benzoate
CID 79419789
N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 79419517
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
6-[(4-chlorothiophen-2-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 79419720

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide (CID 79419634) is N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NCc2cc(Cl)cs2)cc1.
What is the InChIKey of N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide?
The InChIKey is PSEXDURGIHXROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-2-14(18)17-12-5-3-11(4-6-12)16-8-13-7-10(15)9-19-13/h3-7,9,16H,2,8H2,1H3,(H,17,18).
What are the key properties of N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide?
N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide has a molecular weight of 294.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 79419634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).