N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide

C24H19NO3S — CID 44580533

IUPACN-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)cc(-c3cccs3)oc2c1
InChIInChI=1S/C24H19NO3S/c1-14-4-5-16(24(27)25-17-7-8-17)11-19(14)15-6-9-18-20(26)13-22(28-21(18)12-15)23-3-2-10-29-23/h2-6,9-13,17H,7-8H2,1H3,(H,25,27)
InChIKeyFXJGLLMTMNAACI-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.39
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide

N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide (PubChem CID 44580533) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide
PubChem CID44580533
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC NameN-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)cc(-c3cccs3)oc2c1
InChIInChI=1S/C24H19NO3S/c1-14-4-5-16(24(27)25-17-7-8-17)11-19(14)15-6-9-18-20(26)13-22(28-21(18)12-15)23-3-2-10-29-23/h2-6,9-13,17H,7-8H2,1H3,(H,25,27)
InChIKeyFXJGLLMTMNAACI-UHFFFAOYSA-N
XLogP5.39
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AMTB hydrochloride
CID 16095383
N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
CID 16095384
N-[(2-Ethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-YL)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 22549315
N,N-Diethyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)thiophene-2-carboxamide
CID 44254060
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide
CID 4883071
9-methyl-N-[2-(4-methylphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010456
N-[2-(2,5-dimethoxyphenyl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010482
3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide
CID 44535837
[3-[[2-(Diethylaminomethyl)phenyl]methylcarbamoyl]phenyl] thiophene-2-carboxylate
CID 168271218
N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
CID 4781252
2-Thiophenecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071645
N-(2-tert-butylsulfanylethyl)-1-methoxynaphthalene-2-carboxamide
CID 2297293

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide (CID 44580533) is N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)cc(-c3cccs3)oc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide?
The InChIKey is FXJGLLMTMNAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S/c1-14-4-5-16(24(27)25-17-7-8-17)11-19(14)15-6-9-18-20(26)13-22(28-21(18)12-15)23-3-2-10-29-23/h2-6,9-13,17H,7-8H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide?
N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide has a molecular weight of 401.49 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(4-oxo-2-thiophen-2-ylchromen-7-yl)benzamide is sourced from PubChem (CID 44580533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).