cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

C19H19Cl2N3O4S — CID 30893685

IUPACcis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O4S/c1-11-9-14(11)19(26)22-10-17(25)23-12-5-7-13(8-6-12)24-29(27,28)18-15(20)3-2-4-16(18)21/h2-8,11,14,24H,9-10H2,1H3,(H,22,26)(H,23,25)/t11-,14+/m0/s1
InChIKeyURMYENAACBXCMH-SMDDNHRTSA-N
MW456.35 g/mol
LogP3.50
Rot. Bonds7

About cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 30893685) has the molecular formula C19H19Cl2N3O4S and a molecular weight of 456.35 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID30893685
Molecular FormulaC19H19Cl2N3O4S
Molecular Weight456.35 g/mol
Exact Mass455.05
IUPAC Namecis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O4S/c1-11-9-14(11)19(26)22-10-17(25)23-12-5-7-13(8-6-12)24-29(27,28)18-15(20)3-2-4-16(18)21/h2-8,11,14,24H,9-10H2,1H3,(H,22,26)(H,23,25)/t11-,14+/m0/s1
InChIKeyURMYENAACBXCMH-SMDDNHRTSA-N
XLogP3.50
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-[2-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 30894530
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
CID 7042035
cis-(1R,2S)-N-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 51873302
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide
CID 25335507
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 110625443
3-[4-[(2-chloro-6-nitrophenyl)sulfonylamino]anilino]-3-oxopropanoic acid
CID 167961327
trans-(1S,2S)-N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 38639487
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide
CID 51485408
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (CID 30893685) is cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is URMYENAACBXCMH-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4S/c1-11-9-14(11)19(26)22-10-17(25)23-12-5-7-13(8-6-12)24-29(27,28)18-15(20)3-2-4-16(18)21/h2-8,11,14,24H,9-10H2,1H3,(H,22,26)(H,23,25)/t11-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 456.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 30893685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).