N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide

C19H22ClN3O3S — CID 78887382

IUPACN-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCCC(C)C(NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(N)=O
InChIInChI=1S/C19H22ClN3O3S/c1-4-10(2)15(17(21)24)23-19(26)16-11(3)9-14(27-16)22-18(25)12-7-5-6-8-13(12)20/h5-10,15H,4H2,1-3H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyNZTOFZBAFGRVKS-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.59
Rot. Bonds7

About N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide

N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide (PubChem CID 78887382) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
PubChem CID78887382
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCCC(C)C(NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(N)=O
InChIInChI=1S/C19H22ClN3O3S/c1-4-10(2)15(17(21)24)23-19(26)16-11(3)9-14(27-16)22-18(25)12-7-5-6-8-13(12)20/h5-10,15H,4H2,1-3H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyNZTOFZBAFGRVKS-UHFFFAOYSA-N
XLogP3.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
CID 55734516
2-chloro-N-[5-[[(4-ethylbenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55788870
5-[(2-chlorobenzoyl)amino]-3-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 167950679
2-chloro-N-[5-[[(4-ethoxybenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55734380
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55826865
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86968195
2-chloro-N-[5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55790277
2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide
CID 154774868
5-[(2-chlorobenzoyl)amino]-N-[(3-ethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 55844403
N-(3-anilinopropyl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 56586586
2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55734096

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide (CID 78887382) is N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide is CCC(C)C(NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The InChIKey is NZTOFZBAFGRVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-4-10(2)15(17(21)24)23-19(26)16-11(3)9-14(27-16)22-18(25)12-7-5-6-8-13(12)20/h5-10,15H,4H2,1-3H3,(H2,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 78887382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).