N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C21H21N3O5S2 — CID 55846633

IUPACN-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H21N3O5S2/c1-13-11-18(23-20(25)17-3-2-10-29-17)30-19(13)21(26)22-12-14-4-8-16(9-5-14)31(27,28)24-15-6-7-15/h2-5,8-11,15,24H,6-7,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyGDSOSGZRTCMFDZ-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.27
Rot. Bonds8

About N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 55846633) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID55846633
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC NameN-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H21N3O5S2/c1-13-11-18(23-20(25)17-3-2-10-29-17)30-19(13)21(26)22-12-14-4-8-16(9-5-14)31(27,28)24-15-6-7-15/h2-5,8-11,15,24H,6-7,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyGDSOSGZRTCMFDZ-UHFFFAOYSA-N
XLogP3.27
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55588228
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[4-methyl-5-(pyrrolidin-2-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119511877
N-[5-[[6-(2-methoxyethoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55744413
N-[4-methyl-5-[[4-(pyridin-3-ylmethoxy)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55708149
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[5-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 56538064
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 55846633) is N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is GDSOSGZRTCMFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c1-13-11-18(23-20(25)17-3-2-10-29-17)30-19(13)21(26)22-12-14-4-8-16(9-5-14)31(27,28)24-15-6-7-15/h2-5,8-11,15,24H,6-7,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55846633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).