(2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate

C20H18ClNO2S — CID 144532836

IUPAC(2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate
SMILESCc1ccc(-c2scc(C)c2NC(=O)OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClNO2S/c1-13-7-9-15(10-8-13)19-18(14(2)12-25-19)22-20(23)24-11-16-5-3-4-6-17(16)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyRMLWGHUWSJKZSH-UHFFFAOYSA-N
MW371.89 g/mol
LogP6.43
Rot. Bonds4

About (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate

(2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate (PubChem CID 144532836) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate
PubChem CID144532836
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC Name(2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate
SMILESCc1ccc(-c2scc(C)c2NC(=O)OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClNO2S/c1-13-7-9-15(10-8-13)19-18(14(2)12-25-19)22-20(23)24-11-16-5-3-4-6-17(16)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyRMLWGHUWSJKZSH-UHFFFAOYSA-N
XLogP6.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-2-[(2-chlorophenyl)methoxycarbonylamino]thiophene-3-carboxylic acid
CID 59536083
sodium 1-[4-[4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 144534000
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
ethyl 2-[4-[4-[4-[(2-chlorophenyl)methoxycarbonylamino]-1-fluorosulfanyl-5-methylpyrazol-3-yl]phenyl]phenyl]acetate
CID 144533139
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
CID 127520358
sodium;1-[4-[3-chloro-4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;ethane
CID 144533271
(2-chlorophenyl)methyl 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 3559790
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
1-[4-[4-[3-[(2-chlorophenyl)methoxycarbonylamino]-5-oxopyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 85469489
(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate
CID 60717447
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate?
The IUPAC name of (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate (CID 144532836) is (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate.
What is the SMILES notation for (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate?
The canonical SMILES for (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate is Cc1ccc(-c2scc(C)c2NC(=O)OCc2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate?
The InChIKey is RMLWGHUWSJKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-13-7-9-15(10-8-13)19-18(14(2)12-25-19)22-20(23)24-11-16-5-3-4-6-17(16)21/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate?
(2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate has a molecular weight of 371.89 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl N-[4-methyl-2-(4-methylphenyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 144532836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).