N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

C23H21N3O3S — CID 24682821

IUPACN-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H21N3O3S/c27-21(16-7-11-19(12-8-16)26-23(29)20-2-1-13-30-20)24-14-15-3-9-18(10-4-15)25-22(28)17-5-6-17/h1-4,7-13,17H,5-6,14H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyAQRDHZCZHIIICM-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.28
Rot. Bonds7

About N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 24682821) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID24682821
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H21N3O3S/c27-21(16-7-11-19(12-8-16)26-23(29)20-2-1-13-30-20)24-14-15-3-9-18(10-4-15)25-22(28)17-5-6-17/h1-4,7-13,17H,5-6,14H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyAQRDHZCZHIIICM-UHFFFAOYSA-N
XLogP4.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9453685
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-(1,3-dithian-2-yl)benzamide
CID 24680771
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24653539
N-[4-[N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5099209
N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55752421
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 24682821) is N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is AQRDHZCZHIIICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c27-21(16-7-11-19(12-8-16)26-23(29)20-2-1-13-30-20)24-14-15-3-9-18(10-4-15)25-22(28)17-5-6-17/h1-4,7-13,17H,5-6,14H2,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24682821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).