N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride

C20H24ClN3O2S — CID 119615790

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C20H23N3O2S.ClH/c21-11-17(13-5-6-13)22-19(25)16-8-9-26-20(16)23-18(24)15-7-4-12-2-1-3-14(12)10-15;/h4,7-10,13,17H,1-3,5-6,11,21H2,(H,22,25)(H,23,24);1H
InChIKeySUZUJWNMPOPLSB-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.38
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride (PubChem CID 119615790) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
PubChem CID119615790
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C20H23N3O2S.ClH/c21-11-17(13-5-6-13)22-19(25)16-8-9-26-20(16)23-18(24)15-7-4-12-2-1-3-14(12)10-15;/h4,7-10,13,17H,1-3,5-6,11,21H2,(H,22,25)(H,23,24);1H
InChIKeySUZUJWNMPOPLSB-UHFFFAOYSA-N
XLogP3.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride with MolForge

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Related Compounds

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N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119485689
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-piperidin-4-ylthiophene-3-carboxamide
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N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
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CID 119462719
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
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3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid
CID 119362239
N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 154840874
N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119579024
N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride (CID 119615790) is N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride?
The InChIKey is SUZUJWNMPOPLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S.ClH/c21-11-17(13-5-6-13)22-19(25)16-8-9-26-20(16)23-18(24)15-7-4-12-2-1-3-14(12)10-15;/h4,7-10,13,17H,1-3,5-6,11,21H2,(H,22,25)(H,23,24);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119615790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).