N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

C22H21ClN2O4S2 — CID 95247677

IUPACN-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H21ClN2O4S2/c1-29-19-9-4-15(12-20(19)31(27,28)25-18-7-8-18)22(26)24-21(16-10-11-30-13-16)14-2-5-17(23)6-3-14/h2-6,9-13,18,21,25H,7-8H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyPHYSRDGELFFXHB-OAQYLSRUSA-N
MW477.01 g/mol
LogP4.37
Rot. Bonds8

About N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (PubChem CID 95247677) has the molecular formula C22H21ClN2O4S2 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
PubChem CID95247677
Molecular FormulaC22H21ClN2O4S2
Molecular Weight477.01 g/mol
Exact Mass476.06
IUPAC NameN-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H21ClN2O4S2/c1-29-19-9-4-15(12-20(19)31(27,28)25-18-7-8-18)22(26)24-21(16-10-11-30-13-16)14-2-5-17(23)6-3-14/h2-6,9-13,18,21,25H,7-8H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyPHYSRDGELFFXHB-OAQYLSRUSA-N
XLogP4.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
3-(cyclopropylsulfamoyl)-4-methoxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 56503326
3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55619767
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
3-(cyclopropylsulfamoyl)-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9453559
N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 75398194
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27739768
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (CID 95247677) is N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The InChIKey is PHYSRDGELFFXHB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21ClN2O4S2/c1-29-19-9-4-15(12-20(19)31(27,28)25-18-7-8-18)22(26)24-21(16-10-11-30-13-16)14-2-5-17(23)6-3-14/h2-6,9-13,18,21,25H,7-8H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide has a molecular weight of 477.01 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 95247677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).