2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide

C20H19ClN2OS — CID 17499467

IUPAC2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCc1c(Cl)cccc1NCC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C20H19ClN2OS/c1-14-16(21)9-5-10-17(14)22-13-19(24)23-20(18-11-6-12-25-18)15-7-3-2-4-8-15/h2-12,20,22H,13H2,1H3,(H,23,24)
InChIKeySGXXDCKXWYKSOS-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.03
Rot. Bonds6

About 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 17499467) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID17499467
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCc1c(Cl)cccc1NCC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C20H19ClN2OS/c1-14-16(21)9-5-10-17(14)22-13-19(24)23-20(18-11-6-12-25-18)15-7-3-2-4-8-15/h2-12,20,22H,13H2,1H3,(H,23,24)
InChIKeySGXXDCKXWYKSOS-UHFFFAOYSA-N
XLogP5.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499470
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41397075
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide
CID 8554161
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 17499467) is 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide is Cc1c(Cl)cccc1NCC(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is SGXXDCKXWYKSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-14-16(21)9-5-10-17(14)22-13-19(24)23-20(18-11-6-12-25-18)15-7-3-2-4-8-15/h2-12,20,22H,13H2,1H3,(H,23,24).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 370.91 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 17499467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).