N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride

C19H30ClN3O4S — CID 119575626

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-19(14-20,16-5-6-16)21-18(23)9-4-15-2-7-17(8-3-15)27(24,25)22-10-12-26-13-11-22;/h2-3,7-8,16H,4-6,9-14,20H2,1H3,(H,21,23);1H
InChIKeyQRLVQVDSKZWSEK-UHFFFAOYSA-N
MW431.99 g/mol
LogP1.31
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride (PubChem CID 119575626) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
PubChem CID119575626
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-19(14-20,16-5-6-16)21-18(23)9-4-15-2-7-17(8-3-15)27(24,25)22-10-12-26-13-11-22;/h2-3,7-8,16H,4-6,9-14,20H2,1H3,(H,21,23);1H
InChIKeyQRLVQVDSKZWSEK-UHFFFAOYSA-N
XLogP1.31
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119573230
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N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
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N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119668403
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
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4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
CID 9391433

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride (CID 119575626) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride is CC(CN)(NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride?
The InChIKey is QRLVQVDSKZWSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-19(14-20,16-5-6-16)21-18(23)9-4-15-2-7-17(8-3-15)27(24,25)22-10-12-26-13-11-22;/h2-3,7-8,16H,4-6,9-14,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119575626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).