N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide

C22H17ClN2O3S2 — CID 27833022

IUPACN-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H17ClN2O3S2/c23-18-8-7-15(12-19(18)24-21(26)20-6-3-11-30-20)22(27)25(13-16-4-1-9-28-16)14-17-5-2-10-29-17/h1-12H,13-14H2,(H,24,26)
InChIKeyVRRJKDMQGDJNIF-UHFFFAOYSA-N
MW456.98 g/mol
LogP6.15
Rot. Bonds7

About N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 27833022) has the molecular formula C22H17ClN2O3S2 and a molecular weight of 456.98 g/mol. Its IUPAC name is N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID27833022
Molecular FormulaC22H17ClN2O3S2
Molecular Weight456.98 g/mol
Exact Mass456.04
IUPAC NameN-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H17ClN2O3S2/c23-18-8-7-15(12-19(18)24-21(26)20-6-3-11-30-20)22(27)25(13-16-4-1-9-28-16)14-17-5-2-10-29-17/h1-12H,13-14H2,(H,24,26)
InChIKeyVRRJKDMQGDJNIF-UHFFFAOYSA-N
XLogP6.15
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.98
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711
2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192813
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 31836048
N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 31836707
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
N-[2-chloro-5-[2-(diethylamino)ethyl-(2-methylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60557294
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 27833022) is N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)ccc1Cl)c1cccs1.
What is the InChIKey of N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is VRRJKDMQGDJNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S2/c23-18-8-7-15(12-19(18)24-21(26)20-6-3-11-30-20)22(27)25(13-16-4-1-9-28-16)14-17-5-2-10-29-17/h1-12H,13-14H2,(H,24,26).
What are the key properties of N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 456.98 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27833022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).