N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide

C20H17ClN2O3S — CID 20524384

IUPACN-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(OCc2cccs2)c(Cl)c1
InChIInChI=1S/C20H17ClN2O3S/c1-13-5-2-3-7-16(13)19(24)23-20(25)22-14-8-9-18(17(21)11-14)26-12-15-6-4-10-27-15/h2-11H,12H2,1H3,(H2,22,23,24,25)
InChIKeyYGSYRPBVWFPNOE-UHFFFAOYSA-N
MW400.89 g/mol
LogP5.25
Rot. Bonds5

About N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide

N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide (PubChem CID 20524384) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide
PubChem CID20524384
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(OCc2cccs2)c(Cl)c1
InChIInChI=1S/C20H17ClN2O3S/c1-13-5-2-3-7-16(13)19(24)23-20(25)22-14-8-9-18(17(21)11-14)26-12-15-6-4-10-27-15/h2-11H,12H2,1H3,(H2,22,23,24,25)
InChIKeyYGSYRPBVWFPNOE-UHFFFAOYSA-N
XLogP5.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.89
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866426
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 88672143
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
CID 20524556

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide?
The IUPAC name of N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide (CID 20524384) is N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide?
The canonical SMILES for N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(=O)Nc1ccc(OCc2cccs2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide?
The InChIKey is YGSYRPBVWFPNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-13-5-2-3-7-16(13)19(24)23-20(25)22-14-8-9-18(17(21)11-14)26-12-15-6-4-10-27-15/h2-11H,12H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide?
N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide has a molecular weight of 400.89 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide is sourced from PubChem (CID 20524384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).